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Murcko scaffold

Hexamethylenetetramine scaffold

55 chemicals on CompoundList share this ring system.

Rings
4
Scaffold atoms
10
Chemicals
55
With full pages
12
Scaffold SMILES

C1N2CN3CN1CN(C2)C3

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.

Substructure search with this scaffoldOpen the Hexamethylenetetramine page
Murcko scaffold C1N2CN3CN1CN(C2)C3

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 48 of 55 chemicals

Hexamethylenetetramine chemical structure, C6H12N4, CAS 100-97-0
Hexamethylenetetramine
CAS 100-97-0C6H12N4
Quaternium 15 chemical structure, C9H16Cl2N4, CAS 4080-31-3
Quaternium 15
CAS 4080-31-3C9H16Cl2N4
1-(3-Chloroallyl)-3,5,7-triaza-1-azoniaadamantane chemical structure, C9H16ClN4+, CAS 18278-96-1
1-(3-Chloroallyl)-3,5,7-triaza-1-azoniaadamantane
CAS 18278-96-1C9H16ClN4+
Hexamethylenetetraminium, 3-(2-chloroallyl)-, chloride chemical structure, C9H16Cl2N4, CAS 101914-01-6
Hexamethylenetetraminium, 3-(2-chloroallyl)-, chloride
CAS 101914-01-6C9H16Cl2N4
3,5,7-Triaza-1-azoniatricyclo(3.3.1.13,7)decane, 1-ethyl-, iodide (1:1) chemical structure, C8H17IN4, CAS 5406-76-8
3,5,7-Triaza-1-azoniatricyclo(3.3.1.13,7)decane, 1-ethyl-, iodide (1:1)
CAS 5406-76-8C8H17IN4
Methenamine salicylate chemical structure, C13H18N4O3, CAS 620-34-8
Methenamine salicylate
CAS 620-34-8C13H18N4O3
1,3,5,7-Tetraazatricyclo(3.3.1.13,7)decane, monobenzoate chemical structure, C13H18N4O2, CAS 60168-84-5
1,3,5,7-Tetraazatricyclo(3.3.1.13,7)decane, monobenzoate
CAS 60168-84-5C13H18N4O2
Methenammonium chloride chemical structure, C7H15ClN4, CAS 76902-90-4
Methenammonium chloride
CAS 76902-90-4C7H15ClN4
1-Methyl-3,5,7-triaza-1-azoniatricyclo(3.3.1.13,7)decane iodide chemical structure, C7H15N4+, CAS 50982-79-1
1-Methyl-3,5,7-triaza-1-azoniatricyclo(3.3.1.13,7)decane iodide
CAS 50982-79-1C7H15N4+
Methenamine calcium chloride chemical structure, C12H24CaCl2N8, CAS 20280-08-4
Methenamine calcium chloride
CAS 20280-08-4C12H24CaCl2N8
1,3,5,7-Tetraazatricyclo[3.3.1.13,7]decane, compd. with 2-(chloromethyl)oxirane (1:?) chemical structure, C9H17ClN4O, CAS 20368-76-7
1,3,5,7-Tetraazatricyclo[3.3.1.13,7]decane, compd. with 2-(chloromethyl)oxirane (1:?)
CAS 20368-76-7C9H17ClN4O
Brometenamine chemical structure, C7H13Br3N4, CAS 15585-71-4
Brometenamine
CAS 15585-71-4C7H13Br3N4
Phosphonic acid, (2-chloroethyl)-, compd. with 1,3,5,7-tetraazatricyclo(3.3.1.1(3,7))decane(1:1) chemical structure, C8H18ClN4O3P, CAS 134576-33-3
Phosphonic acid, (2-chloroethyl)-, compd. with 1,3,5,7-tetraazatricyclo(3.3.1.1(3,7))decane(1:1)
CAS 134576-33-3C8H18ClN4O3P
Dichloroplatinum, 1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane chemical structure, C6H12Cl2N4Pt
Dichloroplatinum, 1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane
C6H12Cl2N4Pt
Methenamine allyl iodide chemical structure, C9H17IN4, CAS 36895-62-2
Methenamine allyl iodide
CAS 36895-62-2C9H17IN4
Hexamethylene tetramine thiocyanate chemical structure, C7H13N5S, CAS 52302-51-9
Hexamethylene tetramine thiocyanate
CAS 52302-51-9C7H13N5S
5-(3,5,7-Triaza-1-azoniatricyclo[3.3.1.13,7]decan-1-yl)pentanenitrile bromide chemical structure, C11H20BrN5, CAS 29897-53-8
5-(3,5,7-Triaza-1-azoniatricyclo[3.3.1.13,7]decan-1-yl)pentanenitrile bromide
CAS 29897-53-8C11H20BrN5
Chloroallyl methenamine chemical structure, C9H16ClN4+, CAS 56060-15-2
Chloroallyl methenamine
CAS 56060-15-2C9H16ClN4+
3,7-Triaza-1-azoniatricyclo[3.3.1.13,7]decane, 1-methyl-, nitrate chemical structure, C7H17N5O3+2, CAS 49726-84-3
3,7-Triaza-1-azoniatricyclo[3.3.1.13,7]decane, 1-methyl-, nitrate
CAS 49726-84-3C7H17N5O3+2
Quaternium-15 trans- chemical structure, C9H16Cl2N4, CAS 194805-30-6
Quaternium-15 trans-
CAS 194805-30-6C9H16Cl2N4
cis-1-(3-Chloroallyl)-3,5,7-triaza-1-azoniaadamantane chloride chemical structure, C9H16Cl2N4, CAS 51229-78-8
cis-1-(3-Chloroallyl)-3,5,7-triaza-1-azoniaadamantane chloride
CAS 51229-78-8C9H16Cl2N4
Hexamethylenetetramine hydrobromide perbromide chemical structure, C6H13Br3N4, CAS 149261-40-5
Hexamethylenetetramine hydrobromide perbromide
CAS 149261-40-5C6H13Br3N4
1,3,5,7-Tetrazatricyclo[3.3.1.13,7]decane chemical structure, C6H12N4, CAS 67931-01-5
1,3,5,7-Tetrazatricyclo[3.3.1.13,7]decane
CAS 67931-01-5C6H12N4
Hexamethylenetetramine-d12 chemical structure, C6H12N4, CAS 23304-08-7
Hexamethylenetetramine-d12
CAS 23304-08-7C6H12N4