2-butyl-7-(4-fluoro-3-methylanilino)-5-methyl[1,2,4]triazolo[4,3-a]pyrimidin-3(2H)-one
Chemical Structure Depiction of
2-butyl-7-(4-fluoro-3-methylanilino)-5-methyl[1,2,4]triazolo[4,3-a]pyrimidin-3(2H)-one
2-butyl-7-(4-fluoro-3-methylanilino)-5-methyl[1,2,4]triazolo[4,3-a]pyrimidin-3(2H)-one
Compound characteristics
| Compound ID: | P573-7845 |
| Compound Name: | 2-butyl-7-(4-fluoro-3-methylanilino)-5-methyl[1,2,4]triazolo[4,3-a]pyrimidin-3(2H)-one |
| Molecular Weight: | 329.38 |
| Molecular Formula: | C17 H20 F N5 O |
| Smiles: | CCCCN1C(N2C(C)=CC(Nc3ccc(c(C)c3)F)=NC2=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6695 |
| logD: | 3.6684 |
| logSw: | -3.6947 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.76 |
| InChI Key: | KFWNFBWPBQHTJS-UHFFFAOYSA-N |