5-methyl-2-(methylsulfanyl)-7-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]pyrido[3,4-e][1,2,4]triazolo[1,5-a]pyrimidin-6(7H)-one
Chemical Structure Depiction of
5-methyl-2-(methylsulfanyl)-7-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]pyrido[3,4-e][1,2,4]triazolo[1,5-a]pyrimidin-6(7H)-one
5-methyl-2-(methylsulfanyl)-7-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]pyrido[3,4-e][1,2,4]triazolo[1,5-a]pyrimidin-6(7H)-one
Compound characteristics
| Compound ID: | Y020-9478 |
| Compound Name: | 5-methyl-2-(methylsulfanyl)-7-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]pyrido[3,4-e][1,2,4]triazolo[1,5-a]pyrimidin-6(7H)-one |
| Molecular Weight: | 382.32 |
| Molecular Formula: | C13 H9 F3 N8 O S |
| Smiles: | CC1C2=C(C=CN(C2=O)c2nc(C(F)(F)F)n[nH]2)n2c(N=1)nc(n2)SC |
| Stereo: | ACHIRAL |
| logP: | 1.5699 |
| logD: | 1.4915 |
| logSw: | -2.1166 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.318 |
| InChI Key: | VPSHLSIJITZBRY-UHFFFAOYSA-N |