1-[5-amino-3-(3,4-dimethylphenyl)-1H-1,2,4-triazol-1-yl]ethan-1-one
Chemical Structure Depiction of
1-[5-amino-3-(3,4-dimethylphenyl)-1H-1,2,4-triazol-1-yl]ethan-1-one
1-[5-amino-3-(3,4-dimethylphenyl)-1H-1,2,4-triazol-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | D481-2213 |
| Compound Name: | 1-[5-amino-3-(3,4-dimethylphenyl)-1H-1,2,4-triazol-1-yl]ethan-1-one |
| Molecular Weight: | 230.27 |
| Molecular Formula: | C12 H14 N4 O |
| Smiles: | CC(n1c(N)nc(c2ccc(C)c(C)c2)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0808 |
| logD: | 2.0808 |
| logSw: | -2.5755 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.586 |
| InChI Key: | PWNPTWLJFBFYFA-UHFFFAOYSA-N |