2-{[(4-ethylphenyl)methyl]amino}-5-{[(propan-2-yl)amino]methyl}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
2-{[(4-ethylphenyl)methyl]amino}-5-{[(propan-2-yl)amino]methyl}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
2-{[(4-ethylphenyl)methyl]amino}-5-{[(propan-2-yl)amino]methyl}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D412-0453 |
| Compound Name: | 2-{[(4-ethylphenyl)methyl]amino}-5-{[(propan-2-yl)amino]methyl}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 340.43 |
| Molecular Formula: | C18 H24 N6 O |
| Smiles: | CCc1ccc(CNc2nc3NC(CNC(C)C)=CC(n3n2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.2122 |
| logD: | -0.0125 |
| logSw: | -2.8584 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 73.783 |
| InChI Key: | YGSUYJDZHQGRJT-UHFFFAOYSA-N |