4-{[(3,5-dimethyl-4H-1,2,4-triazol-4-yl)imino]methyl}benzoic acid
Chemical Structure Depiction of
4-{[(3,5-dimethyl-4H-1,2,4-triazol-4-yl)imino]methyl}benzoic acid
4-{[(3,5-dimethyl-4H-1,2,4-triazol-4-yl)imino]methyl}benzoic acid
Compound characteristics
| Compound ID: | 3254-0264 |
| Compound Name: | 4-{[(3,5-dimethyl-4H-1,2,4-triazol-4-yl)imino]methyl}benzoic acid |
| Molecular Weight: | 244.25 |
| Molecular Formula: | C12 H12 N4 O2 |
| Smiles: | Cc1nnc(C)n1/N=C/c1ccc(cc1)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.5363 |
| logD: | -3.0705 |
| logSw: | -1.5365 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.257 |
| InChI Key: | AVCABEZIPUDTIA-UHFFFAOYSA-N |