5-methyl-6-(3-methylbutyl)-2-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
5-methyl-6-(3-methylbutyl)-2-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
5-methyl-6-(3-methylbutyl)-2-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | Y021-1966 |
| Compound Name: | 5-methyl-6-(3-methylbutyl)-2-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 288.27 |
| Molecular Formula: | C12 H15 F3 N4 O |
| Smiles: | CC(C)CCC1=C(C)Nc2nc(C(F)(F)F)nn2C1=O |
| Stereo: | ACHIRAL |
| logP: | 3.1102 |
| logD: | -0.7931 |
| logSw: | -3.1687 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.523 |
| InChI Key: | NTEMOYDGSBGTAZ-UHFFFAOYSA-N |