5-[(4-chloroanilino)methyl]-1,2-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
5-[(4-chloroanilino)methyl]-1,2-dihydro-3H-1,2,4-triazol-3-one
5-[(4-chloroanilino)methyl]-1,2-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | 8020-2483 |
| Compound Name: | 5-[(4-chloroanilino)methyl]-1,2-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 224.65 |
| Molecular Formula: | C9 H9 Cl N4 O |
| Smiles: | [H]N1C(N=C(CNc2ccc(cc2)[Cl])N1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3289 |
| logD: | -1.4882 |
| logSw: | -2.5886 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 61.151 |
| InChI Key: | WOMGHBFPIPEDFU-UHFFFAOYSA-N |