4-{[(4H-1,2,4-triazol-4-yl)imino]methyl}benzene-1,3-diol
Chemical Structure Depiction of
4-{[(4H-1,2,4-triazol-4-yl)imino]methyl}benzene-1,3-diol
4-{[(4H-1,2,4-triazol-4-yl)imino]methyl}benzene-1,3-diol
Compound characteristics
| Compound ID: | 3253-2069 |
| Compound Name: | 4-{[(4H-1,2,4-triazol-4-yl)imino]methyl}benzene-1,3-diol |
| Molecular Weight: | 204.18 |
| Molecular Formula: | C9 H8 N4 O2 |
| Smiles: | C(\c1ccc(cc1O)O)=N/n1cnnc1 |
| Stereo: | ACHIRAL |
| logP: | 0.1989 |
| logD: | 0.0844 |
| logSw: | -0.8237 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.371 |
| InChI Key: | XBNJWWPKKMSQDM-UHFFFAOYSA-N |