1-[(2-chloro-4-fluorophenyl)methyl]-1H-1,2,4-triazol-3-amine
Chemical Structure Depiction of
1-[(2-chloro-4-fluorophenyl)methyl]-1H-1,2,4-triazol-3-amine
1-[(2-chloro-4-fluorophenyl)methyl]-1H-1,2,4-triazol-3-amine
Compound characteristics
| Compound ID: | Y503-2537 |
| Compound Name: | 1-[(2-chloro-4-fluorophenyl)methyl]-1H-1,2,4-triazol-3-amine |
| Molecular Weight: | 226.64 |
| Molecular Formula: | C9 H8 Cl F N4 |
| Smiles: | C(c1ccc(cc1[Cl])F)n1cnc(N)n1 |
| Stereo: | ACHIRAL |
| logP: | 1.9395 |
| logD: | 1.9382 |
| logSw: | -2.3433 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 44.792 |
| InChI Key: | AQRVJMONBCVKBA-UHFFFAOYSA-N |