2-(trifluoromethyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-9(4H)-one
Chemical Structure Depiction of
2-(trifluoromethyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-9(4H)-one
2-(trifluoromethyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-9(4H)-one
Compound characteristics
| Compound ID: | 8018-6028 |
| Compound Name: | 2-(trifluoromethyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-9(4H)-one |
| Molecular Weight: | 258.2 |
| Molecular Formula: | C10 H9 F3 N4 O |
| Smiles: | C1CCC2=C(C1)C(n1c(N2)nc(C(F)(F)F)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.979 |
| logD: | -2.3722 |
| logSw: | -2.3367 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.842 |
| InChI Key: | NHLOKGLMNHSCMW-UHFFFAOYSA-N |