2-{[(4-butoxyphenyl)methyl]amino}-6-chloro-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
2-{[(4-butoxyphenyl)methyl]amino}-6-chloro-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
2-{[(4-butoxyphenyl)methyl]amino}-6-chloro-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D298-0577 |
| Compound Name: | 2-{[(4-butoxyphenyl)methyl]amino}-6-chloro-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 361.83 |
| Molecular Formula: | C17 H20 Cl N5 O2 |
| Smiles: | CCCCOc1ccc(CNc2nc3NC(C)=C(C(n3n2)=O)[Cl])cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.6429 |
| logD: | 2.0179 |
| logSw: | -3.8602 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.31 |
| InChI Key: | XVTALKYYGRTASM-UHFFFAOYSA-N |