1-[5-amino-3-(3-methylphenyl)-1H-1,2,4-triazol-1-yl]propan-1-one
Chemical Structure Depiction of
1-[5-amino-3-(3-methylphenyl)-1H-1,2,4-triazol-1-yl]propan-1-one
1-[5-amino-3-(3-methylphenyl)-1H-1,2,4-triazol-1-yl]propan-1-one
Compound characteristics
Compound ID: | D481-1885 |
Compound Name: | 1-[5-amino-3-(3-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(c2cccc(C)c2)n1)=O |
Stereo: | ACHIRAL |
logP: | 2.0137 |
logD: | 2.0137 |
logSw: | -2.2649 |
Hydrogen bond acceptors count: | 4 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 57.591 |
InChI Key: | GNIHPTPRKOGEDF-UHFFFAOYSA-N |