5-[(3-methoxyanilino)methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
5-[(3-methoxyanilino)methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
5-[(3-methoxyanilino)methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | 8020-4646 |
| Compound Name: | 5-[(3-methoxyanilino)methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 220.23 |
| Molecular Formula: | C10 H12 N4 O2 |
| Smiles: | [H]N1C(NC(CNc2cccc(c2)OC)=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.0562 |
| logD: | 0.8737 |
| logSw: | -1.982 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 67.476 |
| InChI Key: | AINHDTIKGHYERA-UHFFFAOYSA-N |