1-[(3-methylphenyl)methyl]-5-(pyridin-2-yl)-1H-1,2,3-triazole-4-carboxylic acid
Chemical Structure Depiction of
1-[(3-methylphenyl)methyl]-5-(pyridin-2-yl)-1H-1,2,3-triazole-4-carboxylic acid
1-[(3-methylphenyl)methyl]-5-(pyridin-2-yl)-1H-1,2,3-triazole-4-carboxylic acid
Compound characteristics
| Compound ID: | T640-0763 |
| Compound Name: | 1-[(3-methylphenyl)methyl]-5-(pyridin-2-yl)-1H-1,2,3-triazole-4-carboxylic acid |
| Molecular Weight: | 294.31 |
| Molecular Formula: | C16 H14 N4 O2 |
| Smiles: | Cc1cccc(Cn2c(c3ccccn3)c(C(O)=O)nn2)c1 |
| Stereo: | ACHIRAL |
| logP: | 1.9215 |
| logD: | -3.1597 |
| logSw: | -2.0441 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.159 |
| InChI Key: | WLRJHZMBXGOFFN-UHFFFAOYSA-N |