3-[(2-methyl-4-nitro-1H-imidazol-1-yl)methyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
Chemical Structure Depiction of
3-[(2-methyl-4-nitro-1H-imidazol-1-yl)methyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
3-[(2-methyl-4-nitro-1H-imidazol-1-yl)methyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
Compound characteristics
| Compound ID: | Y507-4667 |
| Compound Name: | 3-[(2-methyl-4-nitro-1H-imidazol-1-yl)methyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine |
| Molecular Weight: | 276.3 |
| Molecular Formula: | C12 H16 N6 O2 |
| Smiles: | Cc1nc(cn1Cc1nnc2CCCCCn12)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | -0.1661 |
| logD: | -0.1782 |
| logSw: | -0.5928 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 71.103 |
| InChI Key: | CTUDJFRSSBLGGP-UHFFFAOYSA-N |