N-(3-cyanophenyl)-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide
Chemical Structure Depiction of
N-(3-cyanophenyl)-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide
N-(3-cyanophenyl)-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide
Compound characteristics
| Compound ID: | 8017-2423 |
| Compound Name: | N-(3-cyanophenyl)-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide |
| Molecular Weight: | 272.22 |
| Molecular Formula: | C11 H8 N6 O3 |
| Smiles: | C(C(Nc1cccc(C#N)c1)=O)n1cnc(n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.1843 |
| logD: | 1.1841 |
| logSw: | -2.4148 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.84 |
| InChI Key: | JCYKPBATQOFKDH-UHFFFAOYSA-N |