(5-phenyl-4H-1,2,4-triazol-3-yl)acetonitrile
Chemical Structure Depiction of
(5-phenyl-4H-1,2,4-triazol-3-yl)acetonitrile
(5-phenyl-4H-1,2,4-triazol-3-yl)acetonitrile
Compound characteristics
| Compound ID: | 8018-1695 |
| Compound Name: | (5-phenyl-4H-1,2,4-triazol-3-yl)acetonitrile |
| Molecular Weight: | 184.2 |
| Molecular Formula: | C10 H8 N4 |
| Smiles: | C(C#N)c1nnc(c2ccccc2)[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 1.1404 |
| logD: | 1.0903 |
| logSw: | -1.2576 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.506 |
| InChI Key: | DDXUUSTVPHVENY-UHFFFAOYSA-N |