2-[(2-ethylanilino)methyl]-5,6-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
2-[(2-ethylanilino)methyl]-5,6-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
2-[(2-ethylanilino)methyl]-5,6-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D433-1335 |
| Compound Name: | 2-[(2-ethylanilino)methyl]-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: | CCc1ccccc1NCc1nc2NC(C)=C(C)C(n2n1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5568 |
| logD: | 0.523 |
| logSw: | -2.787 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.05 |
| InChI Key: | BDCJDHFVXWIEBQ-UHFFFAOYSA-N |