| SpectraBase Spectrum ID |
8G3eJLPQ3TE |
| Name |
3-(Trifluoromethyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazine |
| CAS Registry Number |
486460-21-3 |
| Classification |
Sitagliptin metabolite |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
192.062280730 u |
| Formula |
C6H7F3N4 |
| InChI |
InChI=1S/C6H7F3N4/c7-6(8,9)5-12-11-4-3-10-1-2-13(4)5/h10H,1-3H2 |
| InChIKey |
FMTDZGCPYKWMPT-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
192.145 g/mol |
| Nominal Mass |
192 u |
| Quality |
985 |
| SMILES |
C=1(N2C(CNCC2)=NN1)C(F)(F)F |
| SPLASH |
splash10-0006-9500000000-5e89020b6440df6f77b8 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
3-(trifluoromethyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-f]pyrazine |
| Technique |
GC/MS |
| Wiley ID |
DD2024_034557 |
![3-(Trifluoromethyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazine](/api/spectrum/8G3eJLPQ3TE/structure.png?h=300&w=458 "3-(Trifluoromethyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazine")
