Murcko scaffold
N-(6,7,8,9-Tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)aniline scaffold
9 chemicals on CompoundList share this ring system.
- Rings
- 3
- Scaffold atoms
- 18
- Chemicals
- 9
- With full pages
- 6
Scaffold SMILES
c1ccc(NCc2nnc3n2CCCCC3)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 9 of 9 chemicals
4-Chloro-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)aniline
CAS 380157-81-3C14H17ClN4
2,4-Dimethyl-N-((6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)methyl)aniline
CAS 325833-91-8C16H22N4
N-(6,7,8,9-Tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)aniline
CAS 325833-90-7C14H18N4
4-Methyl-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)aniline
CAS 325833-96-3C15H20N4
4-Methoxy-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)aniline
CAS 397291-55-3C15H20N4O
4-Iodo-N-({5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-yl}methyl)aniline
CAS 326022-34-8C14H17IN4
3-Methoxy-N-({5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-yl}methyl)aniline
CAS 750614-22-3C15H20N4O
2-Fluoro-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)aniline
CAS 877812-00-5C14H17FN4
3-Fluoro-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)aniline
CAS 887468-33-9C14H17FN4