5-[(4-chloroanilino)methyl]-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
5-[(4-chloroanilino)methyl]-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
5-[(4-chloroanilino)methyl]-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | 8020-2983 |
| Compound Name: | 5-[(4-chloroanilino)methyl]-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 238.67 |
| Molecular Formula: | C10 H11 Cl N4 O |
| Smiles: | CN1C(NC(CNc2ccc(cc2)[Cl])=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0439 |
| logD: | 1.9302 |
| logSw: | -2.8875 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.592 |
| InChI Key: | XYWIEHGESYMUBK-UHFFFAOYSA-N |