2-{[(4-ethylphenyl)methyl]amino}-5,6-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
2-{[(4-ethylphenyl)methyl]amino}-5,6-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
2-{[(4-ethylphenyl)methyl]amino}-5,6-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D043-0071 |
| Compound Name: | 2-{[(4-ethylphenyl)methyl]amino}-5,6-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 297.36 |
| Molecular Formula: | C16 H19 N5 O |
| Smiles: | CCc1ccc(CNc2nc3NC(C)=C(C)C(n3n2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.7593 |
| logD: | 2.6671 |
| logSw: | -2.9545 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.892 |
| InChI Key: | DUTCZFORFBSNEP-UHFFFAOYSA-N |