1-[5-amino-3-(3-methylphenyl)-1H-1,2,4-triazol-1-yl]-3-methylbutan-1-one
Chemical Structure Depiction of
1-[5-amino-3-(3-methylphenyl)-1H-1,2,4-triazol-1-yl]-3-methylbutan-1-one
1-[5-amino-3-(3-methylphenyl)-1H-1,2,4-triazol-1-yl]-3-methylbutan-1-one
Compound characteristics
| Compound ID: | D481-1912 |
| Compound Name: | 1-[5-amino-3-(3-methylphenyl)-1H-1,2,4-triazol-1-yl]-3-methylbutan-1-one |
| Molecular Weight: | 258.32 |
| Molecular Formula: | C14 H18 N4 O |
| Smiles: | CC(C)CC(n1c(N)nc(c2cccc(C)c2)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7932 |
| logD: | 2.7932 |
| logSw: | -3.0043 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.591 |
| InChI Key: | CMRJCDHZKVROFS-UHFFFAOYSA-N |