2-[(3,4-dimethylanilino)methyl]-5-propyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
2-[(3,4-dimethylanilino)methyl]-5-propyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
2-[(3,4-dimethylanilino)methyl]-5-propyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D433-1740 |
| Compound Name: | 2-[(3,4-dimethylanilino)methyl]-5-propyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 311.38 |
| Molecular Formula: | C17 H21 N5 O |
| Smiles: | CCCC1=CC(n2c(N1)nc(CNc1ccc(C)c(C)c1)n2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3274 |
| logD: | 0.4934 |
| logSw: | -3.4307 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.837 |
| InChI Key: | BJMMFYNNZOTLQE-UHFFFAOYSA-N |