5-methyl-1-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-3-carboxylic acid
Chemical Structure Depiction of
5-methyl-1-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-3-carboxylic acid
5-methyl-1-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-3-carboxylic acid
Compound characteristics
| Compound ID: | 8019-8583 |
| Compound Name: | 5-methyl-1-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-3-carboxylic acid |
| Molecular Weight: | 271.2 |
| Molecular Formula: | C11 H8 F3 N3 O2 |
| Smiles: | Cc1nc(C(O)=O)nn1c1cccc(c1)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 1.9388 |
| logD: | -3.6131 |
| logSw: | -2.068 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.346 |
| InChI Key: | KYNHXXIWJLMWTB-UHFFFAOYSA-N |