7-(3,5-dimethylanilino)-5-methyl-2-(propan-2-yl)[1,2,4]triazolo[4,3-a]pyrimidin-3(2H)-one
Chemical Structure Depiction of
7-(3,5-dimethylanilino)-5-methyl-2-(propan-2-yl)[1,2,4]triazolo[4,3-a]pyrimidin-3(2H)-one
7-(3,5-dimethylanilino)-5-methyl-2-(propan-2-yl)[1,2,4]triazolo[4,3-a]pyrimidin-3(2H)-one
Compound characteristics
| Compound ID: | P573-7771 |
| Compound Name: | 7-(3,5-dimethylanilino)-5-methyl-2-(propan-2-yl)[1,2,4]triazolo[4,3-a]pyrimidin-3(2H)-one |
| Molecular Weight: | 311.38 |
| Molecular Formula: | C17 H21 N5 O |
| Smiles: | CC(C)N1C(N2C(C)=CC(Nc3cc(C)cc(C)c3)=NC2=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6371 |
| logD: | 3.637 |
| logSw: | -3.7519 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.695 |
| InChI Key: | SCFRIXPYJSFHMI-UHFFFAOYSA-N |