Murcko scaffold
3-Phenyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine scaffold
40 chemicals on CompoundList share this ring system.
- Rings
- 3
- Scaffold atoms
- 16
- Chemicals
- 40
- With full pages
- 29
Scaffold SMILES
c1ccc(-c2nnc3n2CCCCC3)cc1
A Bemis-Murcko scaffold is what remains of a molecule when every side chain is removed: the rings and the chains that link them. Chemicals that share a scaffold often belong to the same compound series, which helps when you look for analogues, alternative suppliers or related building blocks.
Computed from the structures of the chemicals listed here. Stereo and charges are removed before the scaffold is taken.
Chemicals with this scaffold
Open one to see its structure, properties and suppliers.
Showing 1 to 40 of 40 chemicals
![3-(3-Bromophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine chemical structure, C13H14BrN3, CAS 307325-67-3](/s/NZYZRDCUROHPJS-UHFFFAOYSA-N.svg)
3-(3-Bromophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
CAS 307325-67-3C13H14BrN3
![3-(4-Bromophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine chemical structure, C13H14BrN3, CAS 324060-59-5](/s/ADECVMMOLHCQTO-UHFFFAOYSA-N.svg)
3-(4-Bromophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
CAS 324060-59-5C13H14BrN3
![2-{5H,6H,7H,8H,9H-[1,2,4]Triazolo[4,3-a]azepin-3-yl}aniline chemical structure, C13H16N4, CAS 303019-48-9](/s/VFBYIWGNEQPFKZ-UHFFFAOYSA-N.svg)
2-{5H,6H,7H,8H,9H-[1,2,4]Triazolo[4,3-a]azepin-3-yl}aniline
CAS 303019-48-9C13H16N4
4-(5H,6H,7H,8H,9H-(1,2,4)Triazolo(4,3-a)azepin-3-yl)aniline
CAS 109220-81-7C13H16N4
![3-(2-Chlorophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine chemical structure, C13H14ClN3, CAS 306280-54-6](/s/GKWMIVQJQWDXQZ-UHFFFAOYSA-N.svg)
3-(2-Chlorophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
CAS 306280-54-6C13H14ClN3
![3-Phenyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine chemical structure, C13H15N3, CAS 51828-07-0](/s/YNCFPURBKVPYQF-UHFFFAOYSA-N.svg)
3-Phenyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
CAS 51828-07-0C13H15N3
![3-(4-Methylphenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine chemical structure, C14H17N3, CAS 306958-44-1](/s/MDGGRHZKMXXZRD-UHFFFAOYSA-N.svg)
3-(4-Methylphenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
CAS 306958-44-1C14H17N3
![3-(4-Chlorophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine chemical structure, C13H14ClN3, CAS 109098-07-9](/s/PHGMTQJBXXFRJO-UHFFFAOYSA-N.svg)
3-(4-Chlorophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
CAS 109098-07-9C13H14ClN3
![3-(3-Chlorophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine chemical structure, C13H14ClN3, CAS 400082-59-9](/s/DYOWYUZNXBKQOK-UHFFFAOYSA-N.svg)
3-(3-Chlorophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
CAS 400082-59-9C13H14ClN3
![3-(3,4-Dichlorophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine chemical structure, C13H13Cl2N3, CAS 400082-60-2](/s/AFRGNIDHOWKOTB-UHFFFAOYSA-N.svg)
3-(3,4-Dichlorophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
CAS 400082-60-2C13H13Cl2N3
![N-[4-(6,7,8,9-Tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]methanesulfonamide chemical structure, C14H18N4O2S, CAS 771518-11-7](/s/DLBAZZHSIFNMKH-UHFFFAOYSA-N.svg)
N-[4-(6,7,8,9-Tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]methanesulfonamide
CAS 771518-11-7C14H18N4O2S
![3-{5H,6H,7H,8H,9H-[1,2,4]Triazolo[4,3-a]azepin-3-yl}aniline chemical structure, C13H16N4, CAS 743444-21-5](/s/WDFYWYRBKLWXFA-UHFFFAOYSA-N.svg)
3-{5H,6H,7H,8H,9H-[1,2,4]Triazolo[4,3-a]azepin-3-yl}aniline
CAS 743444-21-5C13H16N4
![N,N-Dimethyl-3-{5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-yl}benzene-1-sulfonamide chemical structure, C15H20N4O2S, CAS 749920-42-1](/s/SUZGJHZXQOKUSS-UHFFFAOYSA-N.svg)
N,N-Dimethyl-3-{5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-yl}benzene-1-sulfonamide
CAS 749920-42-1C15H20N4O2S
![4-Chloro-N,N-dimethyl-3-{5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-yl}benzene-1-sulfonamide chemical structure, C15H19ClN4O2S, CAS 749920-44-3](/s/BYGXNXXFQBKJJW-UHFFFAOYSA-N.svg)
4-Chloro-N,N-dimethyl-3-{5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-yl}benzene-1-sulfonamide
CAS 749920-44-3C15H19ClN4O2S
![2-{5H,6H,7H,8H,9H-[1,2,4]Triazolo[4,3-a]azepin-3-yl}phenol chemical structure, C13H15N3O, CAS 108877-44-7](/s/XOMBXKRLKULZBZ-UHFFFAOYSA-N.svg)
2-{5H,6H,7H,8H,9H-[1,2,4]Triazolo[4,3-a]azepin-3-yl}phenol
CAS 108877-44-7C13H15N3O
![3-(3,4,5-Trimethoxyphenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine chemical structure, C16H21N3O3, CAS 326034-30-4](/s/OBJZSFBPDCYSNJ-UHFFFAOYSA-N.svg)
3-(3,4,5-Trimethoxyphenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
CAS 326034-30-4C16H21N3O3
![3-(3,4-Dimethoxyphenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine chemical structure, C15H19N3O2, CAS 326878-94-8](/s/ROGDENFRQGDOCR-UHFFFAOYSA-N.svg)
3-(3,4-Dimethoxyphenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
CAS 326878-94-8C15H19N3O2
![3-(3-Nitrophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine chemical structure, C13H14N4O2, CAS 300566-67-0](/s/BSRSXZINQLBUHG-UHFFFAOYSA-N.svg)
3-(3-Nitrophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
CAS 300566-67-0C13H14N4O2
![1-Prop-2-enyl-3-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]thiourea chemical structure, C17H21N5S, CAS 306958-41-8](/s/YOECYKSJAHSERQ-UHFFFAOYSA-N.svg)
1-Prop-2-enyl-3-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]thiourea
CAS 306958-41-8C17H21N5S
![3-(4-Nitrophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine chemical structure, C13H14N4O2, CAS 109401-86-7](/s/QIZUBSWSNYDILC-UHFFFAOYSA-N.svg)
3-(4-Nitrophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
CAS 109401-86-7C13H14N4O2
![N,N-Diethyl-3-{5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-yl}benzene-1-sulfonamide chemical structure, C17H24N4O2S, CAS 851169-08-9](/s/ABOASTFMTDNBOF-UHFFFAOYSA-N.svg)
N,N-Diethyl-3-{5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-yl}benzene-1-sulfonamide
CAS 851169-08-9C17H24N4O2S
![N-[4-(6,7,8,9-Tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]hexanamide chemical structure, C19H26N4O, CAS 1011456-00-0](/s/DQTHHOYVUFLRFG-UHFFFAOYSA-N.svg)
N-[4-(6,7,8,9-Tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]hexanamide
CAS 1011456-00-0C19H26N4O
![3-{5H,6H,7H,8H,9H-[1,2,4]Triazolo[4,3-a]azepin-3-yl}phenol chemical structure, C13H15N3O, CAS 923256-33-1](/s/MDVXGUQWECPHRT-UHFFFAOYSA-N.svg)
3-{5H,6H,7H,8H,9H-[1,2,4]Triazolo[4,3-a]azepin-3-yl}phenol
CAS 923256-33-1C13H15N3O
![2-Chloro-N-(4-{5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-yl}phenyl)acetamide chemical structure, C15H17ClN4O, CAS 923696-30-4](/s/YHHRGJVKRFANBT-UHFFFAOYSA-N.svg)
2-Chloro-N-(4-{5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-yl}phenyl)acetamide
CAS 923696-30-4C15H17ClN4O
- 2-Chloro-N-(3-{5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-yl}phenyl)acetamide923870-50-2C15H17ClN4O
- 2-Chloro-5-{5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-yl}aniline929972-57-6C13H15ClN4
- 2-Fluoro-5-(5H,6H,7H,8H,9H-(1,2,4)triazolo(4,3-a)azepin-3-yl)aniline930396-05-7C13H15FN4
- 4-Fluoro-3-{5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-yl}aniline940242-26-2C13H15FN4
- 2,4-Difluoro-5-{5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-yl}aniline941166-01-4C13H14F2N4
- 2-Methyl-5-{5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-yl}aniline949835-62-5C14H18N4
- 4-Chloro-3-(5H,6H,7H,8H,9H-(1,2,4)triazolo(4,3-a)azepin-3-yl)aniline950070-15-2C13H15ClN4
- 2-Methyl-3-(5H,6H,7H,8H,9H-(1,2,4)triazolo(4,3-a)azepin-3-yl)aniline1111551-07-5C14H18N4
- (4-(6,7,8,9-Tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl)methanamine1094307-09-1C14H18N4
- 4-{5H,6H,7H,8H,9H-[1,2,4]Triazolo[4,3-a]azepin-3-yl}phenol923235-74-9C13H15N3O
- 3-(Prop-2-enoylamino)-N-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]propanamide2200496-26-8C19H23N5O2
- N-Ethyl-N-[2-[2-fluoro-5-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)anilino]-2-oxoethyl]prop-2-enamide2361792-64-3C20H24FN5O2
- 3-(4-Fluorosulfonyloxyphenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine2411262-10-5C13H14FN3O3S
- N-(4-Fluoro-3-{5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-yl}phenyl)prop-2-enamide2411300-55-3C16H17FN4O
- N-Ethyl-N-{[(2-methyl-5-{5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-yl}phenyl)carbamoyl]methyl}prop-2-enamide2411299-42-6C21H27N5O2
- 2-{5H,6H,7H,8H,9H-[1,2,4]Triazolo[4,3-a]azepin-3-yl}phenylsulfurofluoridate2411242-45-8C13H14FN3O3S
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