1-[5-amino-3-(2-methylphenyl)-1H-1,2,4-triazol-1-yl]butan-1-one
Chemical Structure Depiction of
1-[5-amino-3-(2-methylphenyl)-1H-1,2,4-triazol-1-yl]butan-1-one
1-[5-amino-3-(2-methylphenyl)-1H-1,2,4-triazol-1-yl]butan-1-one
Compound characteristics
| Compound ID: | D481-1840 |
| Compound Name: | 1-[5-amino-3-(2-methylphenyl)-1H-1,2,4-triazol-1-yl]butan-1-one |
| Molecular Weight: | 244.29 |
| Molecular Formula: | C13 H16 N4 O |
| Smiles: | CCCC(n1c(N)nc(c2ccccc2C)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3307 |
| logD: | 2.3307 |
| logSw: | -2.7118 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.591 |
| InChI Key: | USJSWVGQTNILBR-UHFFFAOYSA-N |