2-{[(4-ethylphenyl)methyl]amino}-5-(propan-2-yl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
2-{[(4-ethylphenyl)methyl]amino}-5-(propan-2-yl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
2-{[(4-ethylphenyl)methyl]amino}-5-(propan-2-yl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D298-0015 |
| Compound Name: | 2-{[(4-ethylphenyl)methyl]amino}-5-(propan-2-yl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 311.38 |
| Molecular Formula: | C17 H21 N5 O |
| Smiles: | CCc1ccc(CNc2nc3NC(=CC(n3n2)=O)C(C)C)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.2397 |
| logD: | 2.8061 |
| logSw: | -3.4953 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.875 |
| InChI Key: | LLIJCUJGOUCGRW-UHFFFAOYSA-N |