1-[5-amino-3-(4-chlorophenyl)-1H-1,2,4-triazol-1-yl]-2-methylpropan-1-one
Chemical Structure Depiction of
1-[5-amino-3-(4-chlorophenyl)-1H-1,2,4-triazol-1-yl]-2-methylpropan-1-one
1-[5-amino-3-(4-chlorophenyl)-1H-1,2,4-triazol-1-yl]-2-methylpropan-1-one
Compound characteristics
| Compound ID: | D481-1980 |
| Compound Name: | 1-[5-amino-3-(4-chlorophenyl)-1H-1,2,4-triazol-1-yl]-2-methylpropan-1-one |
| Molecular Weight: | 264.71 |
| Molecular Formula: | C12 H13 Cl N4 O |
| Smiles: | CC(C)C(n1c(N)nc(c2ccc(cc2)[Cl])n1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5861 |
| logD: | 2.5861 |
| logSw: | -3.2616 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.118 |
| InChI Key: | JSMSGWYXFDRVIC-UHFFFAOYSA-N |