5-[(3-chloroanilino)methyl]-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
5-[(3-chloroanilino)methyl]-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
5-[(3-chloroanilino)methyl]-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | 8020-3056 |
| Compound Name: | 5-[(3-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(CNc2cccc(c2)[Cl])=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0752 |
| logD: | 1.9614 |
| logSw: | -3.0304 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.592 |
| InChI Key: | LILAXBSYWBMBED-UHFFFAOYSA-N |