5-[(4-methoxyanilino)methyl]-1,2-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
5-[(4-methoxyanilino)methyl]-1,2-dihydro-3H-1,2,4-triazol-3-one
5-[(4-methoxyanilino)methyl]-1,2-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | 8020-2485 |
| Compound Name: | 5-[(4-methoxyanilino)methyl]-1,2-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 220.23 |
| Molecular Formula: | C10 H12 N4 O2 |
| Smiles: | [H]N1C(N=C(CNc2ccc(cc2)OC)N1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.7166 |
| logD: | -2.1006 |
| logSw: | -1.7142 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 68.695 |
| InChI Key: | LLDMERDQHLIXFX-UHFFFAOYSA-N |