2-(3-methylphenyl)-5-nitro-3-oxo-N-[(pyridin-3-yl)methyl]-2H-1lambda~5~,2,3-triazol-4-amine
Chemical Structure Depiction of
2-(3-methylphenyl)-5-nitro-3-oxo-N-[(pyridin-3-yl)methyl]-2H-1lambda~5~,2,3-triazol-4-amine
2-(3-methylphenyl)-5-nitro-3-oxo-N-[(pyridin-3-yl)methyl]-2H-1lambda~5~,2,3-triazol-4-amine
Compound characteristics
| Compound ID: | C301-0216 |
| Compound Name: | 2-(3-methylphenyl)-5-nitro-3-oxo-N-[(pyridin-3-yl)methyl]-2H-1lambda~5~,2,3-triazol-4-amine |
| Molecular Weight: | 326.31 |
| Molecular Formula: | C15 H14 N6 O3 |
| Smiles: | Cc1cccc(c1)n1nc(c(NCc2cccnc2)[n+]1[O-])[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.8059 |
| logD: | 1.7912 |
| logSw: | -1.3593 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.923 |
| InChI Key: | BHASPCOIVGGJKA-UHFFFAOYSA-N |