5-[(4-fluoroanilino)methyl]-2-(propan-2-yl)-1,2-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
5-[(4-fluoroanilino)methyl]-2-(propan-2-yl)-1,2-dihydro-3H-1,2,4-triazol-3-one
5-[(4-fluoroanilino)methyl]-2-(propan-2-yl)-1,2-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | 8020-2975 |
| Compound Name: | 5-[(4-fluoroanilino)methyl]-2-(propan-2-yl)-1,2-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 250.27 |
| Molecular Formula: | C12 H15 F N4 O |
| Smiles: | CC(C)N1C(N=C(CNc2ccc(cc2)F)N1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9091 |
| logD: | 1.9091 |
| logSw: | -2.3525 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 50.323 |
| InChI Key: | SANALMXGIGUJRG-UHFFFAOYSA-N |