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 |