1-[5-amino-3-(2-methylphenyl)-1H-1,2,4-triazol-1-yl]propan-1-one
Chemical Structure Depiction of
1-[5-amino-3-(2-methylphenyl)-1H-1,2,4-triazol-1-yl]propan-1-one
1-[5-amino-3-(2-methylphenyl)-1H-1,2,4-triazol-1-yl]propan-1-one
Compound characteristics
| Compound ID: | D481-1838 |
| Compound Name: | 1-[5-amino-3-(2-methylphenyl)-1H-1,2,4-triazol-1-yl]propan-1-one |
| Molecular Weight: | 230.27 |
| Molecular Formula: | C12 H14 N4 O |
| Smiles: | CCC(n1c(N)nc(c2ccccc2C)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7278 |
| logD: | 1.7278 |
| logSw: | -2.4547 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.591 |
| InChI Key: | UZMKOQGICNUTGG-UHFFFAOYSA-N |