3-{[7-(4-fluoroanilino)-5-methyl-3-oxo[1,2,4]triazolo[4,3-a]pyrimidin-2(3H)-yl]methyl}benzonitrile
Chemical Structure Depiction of
3-{[7-(4-fluoroanilino)-5-methyl-3-oxo[1,2,4]triazolo[4,3-a]pyrimidin-2(3H)-yl]methyl}benzonitrile
3-{[7-(4-fluoroanilino)-5-methyl-3-oxo[1,2,4]triazolo[4,3-a]pyrimidin-2(3H)-yl]methyl}benzonitrile
Compound characteristics
| Compound ID: | P573-7629 |
| Compound Name: | 3-{[7-(4-fluoroanilino)-5-methyl-3-oxo[1,2,4]triazolo[4,3-a]pyrimidin-2(3H)-yl]methyl}benzonitrile |
| Molecular Weight: | 374.38 |
| Molecular Formula: | C20 H15 F N6 O |
| Smiles: | CC1=CC(Nc2ccc(cc2)F)=NC2=NN(Cc3cccc(C#N)c3)C(N12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0222 |
| logD: | 3.0205 |
| logSw: | -3.3568 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.566 |
| InChI Key: | ZRSRDWMEYKXIOO-UHFFFAOYSA-N |