2-{[(3,5-dimethyl-4H-1,2,4-triazol-4-yl)imino]methyl}phenol
Chemical Structure Depiction of
2-{[(3,5-dimethyl-4H-1,2,4-triazol-4-yl)imino]methyl}phenol
2-{[(3,5-dimethyl-4H-1,2,4-triazol-4-yl)imino]methyl}phenol
Compound characteristics
| Compound ID: | 3253-0827 |
| Compound Name: | 2-{[(3,5-dimethyl-4H-1,2,4-triazol-4-yl)imino]methyl}phenol |
| Molecular Weight: | 216.24 |
| Molecular Formula: | C11 H12 N4 O |
| Smiles: | Cc1nnc(C)n1/N=C/c1ccccc1O |
| Stereo: | ACHIRAL |
| logP: | 0.7953 |
| logD: | 0.7257 |
| logSw: | -0.8523 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.397 |
| InChI Key: | DUUOXPADSZEWGD-UHFFFAOYSA-N |