1-[5-amino-3-(2-methylphenyl)-1H-1,2,4-triazol-1-yl]pentan-1-one
Chemical Structure Depiction of
1-[5-amino-3-(2-methylphenyl)-1H-1,2,4-triazol-1-yl]pentan-1-one
1-[5-amino-3-(2-methylphenyl)-1H-1,2,4-triazol-1-yl]pentan-1-one
Compound characteristics
Compound ID: | D481-1841 |
Compound Name: | 1-[5-amino-3-(2-methylphenyl)-1H-1,2,4-triazol-1-yl]pentan-1-one |
Molecular Weight: | 258.32 |
Molecular Formula: | C14 H18 N4 O |
Smiles: | CCCCC(n1c(N)nc(c2ccccc2C)n1)=O |
Stereo: | ACHIRAL |
logP: | 2.6323 |
logD: | 2.6323 |
logSw: | -3.058 |
Hydrogen bond acceptors count: | 4 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 57.591 |
InChI Key: | BQZGGFNLGXNOPM-UHFFFAOYSA-N |