3-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-5-amine
Chemical Structure Depiction of
3-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-5-amine
3-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-5-amine
Compound characteristics
| Compound ID: | 8020-6042 |
| Compound Name: | 3-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-5-amine |
| Molecular Weight: | 208.65 |
| Molecular Formula: | C9 H9 Cl N4 |
| Smiles: | C(c1ccc(cc1)[Cl])c1nc(N)[nH]n1 |
| Stereo: | ACHIRAL |
| logP: | 1.7288 |
| logD: | 1.7269 |
| logSw: | -2.3052 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 55.48 |
| InChI Key: | HRXVTAQNGSMMTC-UHFFFAOYSA-N |