5-[(4-methoxyanilino)methyl]-2-(propan-2-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
5-[(4-methoxyanilino)methyl]-2-(propan-2-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one
5-[(4-methoxyanilino)methyl]-2-(propan-2-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | 8020-2988 |
| Compound Name: | 5-[(4-methoxyanilino)methyl]-2-(propan-2-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 262.31 |
| Molecular Formula: | C13 H18 N4 O2 |
| Smiles: | CC(C)N1C(NC(CNc2ccc(cc2)OC)=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5324 |
| logD: | 2.513 |
| logSw: | -2.9506 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.369 |
| InChI Key: | OGWIAHCTCIJJOC-UHFFFAOYSA-N |