2-(3-cyclopropyl-5-methyl-4H-1,2,4-triazol-4-yl)benzoic acid
Chemical Structure Depiction of
2-(3-cyclopropyl-5-methyl-4H-1,2,4-triazol-4-yl)benzoic acid
2-(3-cyclopropyl-5-methyl-4H-1,2,4-triazol-4-yl)benzoic acid
Compound characteristics
| Compound ID: | 8018-6452 |
| Compound Name: | 2-(3-cyclopropyl-5-methyl-4H-1,2,4-triazol-4-yl)benzoic acid |
| Molecular Weight: | 243.26 |
| Molecular Formula: | C13 H13 N3 O2 |
| Smiles: | Cc1nnc(C2CC2)n1c1ccccc1C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5248 |
| logD: | -0.5814 |
| logSw: | -2.0363 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.81 |
| InChI Key: | ZZYSWMZPDNLUKF-UHFFFAOYSA-N |