5-[(4-fluoroanilino)methyl]-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
5-[(4-fluoroanilino)methyl]-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
5-[(4-fluoroanilino)methyl]-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | 8020-4642 |
| Compound Name: | 5-[(4-fluoroanilino)methyl]-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 222.22 |
| Molecular Formula: | C10 H11 F N4 O |
| Smiles: | CN1C(NC(CNc2ccc(cc2)F)=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4783 |
| logD: | 1.3645 |
| logSw: | -1.7506 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.592 |
| InChI Key: | USGCFFLWXPPFRC-UHFFFAOYSA-N |