3-{[5-methyl-7-(4-methylanilino)-3-oxo[1,2,4]triazolo[4,3-a]pyrimidin-2(3H)-yl]methyl}benzonitrile
Chemical Structure Depiction of
3-{[5-methyl-7-(4-methylanilino)-3-oxo[1,2,4]triazolo[4,3-a]pyrimidin-2(3H)-yl]methyl}benzonitrile
3-{[5-methyl-7-(4-methylanilino)-3-oxo[1,2,4]triazolo[4,3-a]pyrimidin-2(3H)-yl]methyl}benzonitrile
Compound characteristics
| Compound ID: | P573-7584 |
| Compound Name: | 3-{[5-methyl-7-(4-methylanilino)-3-oxo[1,2,4]triazolo[4,3-a]pyrimidin-2(3H)-yl]methyl}benzonitrile |
| Molecular Weight: | 370.41 |
| Molecular Formula: | C21 H18 N6 O |
| Smiles: | CC1=CC(Nc2ccc(C)cc2)=NC2=NN(Cc3cccc(C#N)c3)C(N12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4165 |
| logD: | 3.4159 |
| logSw: | -3.613 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.566 |
| InChI Key: | FFOSFMHRMCYURD-UHFFFAOYSA-N |