4-({[3-(3,5-dimethyl-1H-pyrazol-1-yl)-5-methyl-4H-1,2,4-triazol-4-yl]imino}methyl)benzene-1,2-diol
Chemical Structure Depiction of
4-({[3-(3,5-dimethyl-1H-pyrazol-1-yl)-5-methyl-4H-1,2,4-triazol-4-yl]imino}methyl)benzene-1,2-diol
4-({[3-(3,5-dimethyl-1H-pyrazol-1-yl)-5-methyl-4H-1,2,4-triazol-4-yl]imino}methyl)benzene-1,2-diol
Compound characteristics
| Compound ID: | Y508-2896 |
| Compound Name: | 4-({[3-(3,5-dimethyl-1H-pyrazol-1-yl)-5-methyl-4H-1,2,4-triazol-4-yl]imino}methyl)benzene-1,2-diol |
| Molecular Weight: | 312.33 |
| Molecular Formula: | C15 H16 N6 O2 |
| Smiles: | Cc1cc(C)n(c2nnc(C)n2/N=C/c2ccc(c(c2)O)O)n1 |
| Stereo: | ACHIRAL |
| logP: | 0.3385 |
| logD: | 0.3353 |
| logSw: | -0.5128 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.58 |
| InChI Key: | QJJSORVGRQRNDN-UHFFFAOYSA-N |