6-ethyl-2-{[(4-ethylphenyl)methyl]amino}-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
6-ethyl-2-{[(4-ethylphenyl)methyl]amino}-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
6-ethyl-2-{[(4-ethylphenyl)methyl]amino}-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D298-0118 |
| Compound Name: | 6-ethyl-2-{[(4-ethylphenyl)methyl]amino}-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 311.38 |
| Molecular Formula: | C17 H21 N5 O |
| Smiles: | CCC1=C(C)Nc2nc(NCc3ccc(CC)cc3)nn2C1=O |
| Stereo: | ACHIRAL |
| logP: | 3.187 |
| logD: | 3.1518 |
| logSw: | -3.1658 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.892 |
| InChI Key: | QKAMCRJNADXDJD-UHFFFAOYSA-N |