2-butyl-7-(3,5-dimethylanilino)-5-methyl[1,2,4]triazolo[4,3-a]pyrimidin-3(2H)-one
Chemical Structure Depiction of
2-butyl-7-(3,5-dimethylanilino)-5-methyl[1,2,4]triazolo[4,3-a]pyrimidin-3(2H)-one
2-butyl-7-(3,5-dimethylanilino)-5-methyl[1,2,4]triazolo[4,3-a]pyrimidin-3(2H)-one
Compound characteristics
| Compound ID: | P573-7770 |
| Compound Name: | 2-butyl-7-(3,5-dimethylanilino)-5-methyl[1,2,4]triazolo[4,3-a]pyrimidin-3(2H)-one |
| Molecular Weight: | 325.41 |
| Molecular Formula: | C18 H23 N5 O |
| Smiles: | CCCCN1C(N2C(C)=CC(Nc3cc(C)cc(C)c3)=NC2=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9047 |
| logD: | 3.9045 |
| logSw: | -3.685 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.76 |
| InChI Key: | CJGVOGGOBLOAHZ-UHFFFAOYSA-N |