5-[(4-fluoroanilino)methyl]-1,2-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
5-[(4-fluoroanilino)methyl]-1,2-dihydro-3H-1,2,4-triazol-3-one
5-[(4-fluoroanilino)methyl]-1,2-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | 8020-2477 |
| Compound Name: | 5-[(4-fluoroanilino)methyl]-1,2-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 208.19 |
| Molecular Formula: | C9 H9 F N4 O |
| Smiles: | [H]N1C(N=C(CNc2ccc(cc2)F)N1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.7633 |
| logD: | -2.0539 |
| logSw: | -1.7164 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 61.151 |
| InChI Key: | LRSMLSUFPDMYND-UHFFFAOYSA-N |