1-[5-amino-3-(2-methylphenyl)-1H-1,2,4-triazol-1-yl]-2,2-dimethylpropan-1-one
Chemical Structure Depiction of
1-[5-amino-3-(2-methylphenyl)-1H-1,2,4-triazol-1-yl]-2,2-dimethylpropan-1-one
1-[5-amino-3-(2-methylphenyl)-1H-1,2,4-triazol-1-yl]-2,2-dimethylpropan-1-one
Compound characteristics
| Compound ID: | D481-1874 |
| Compound Name: | 1-[5-amino-3-(2-methylphenyl)-1H-1,2,4-triazol-1-yl]-2,2-dimethylpropan-1-one |
| Molecular Weight: | 258.32 |
| Molecular Formula: | C14 H18 N4 O |
| Smiles: | Cc1ccccc1c1nc(N)n(C(C(C)(C)C)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.4981 |
| logD: | 2.4981 |
| logSw: | -2.6759 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.118 |
| InChI Key: | GIOMSFJOSQLVOK-UHFFFAOYSA-N |