chempirical

3-(Trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-A]pyrazine

C6H7F3N4CAS 486460-21-3192.15 g/mol

Open in Covalent MOL file
FFFNNNHN
Alkyl halideSecondary amine

Properties

Molecular formula
C6H7F3N4
Molar mass
192.15 g/mol
Exact mass
192.0623 Da
logP
0.40Crippen estimate
Polar surface area
42.7 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
0

Identifiers

CAS number
486460-21-3
SMILES
FC(F)(F)c1nnc2n1CCNC2
InChIKey
FMTDZGCPYKWMPT-UHFFFAOYSA-N
InChI
InChI=1S/C6H7F3N4/c7-6(8,9)5-12-11-4-3-10-1-2-13(4)5/h10H,1-3H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

6 names
  • 1,2,4-Triazolo[4,3-a]pyrazine, 5,6,7,8-tetrahydro-3-(trifluoromethyl)-
  • 5,6,7,8-Tetrahydro-3-(trifluoromethyl)-1,2,4-triazolo[4,3-a]pyrazine
  • 3-Trifluoromethyl-5,6-dihydro-8H-[1,2,4]triazolo[4,3-a]pyrazine
  • 5,6,7,8-Tetrahydro-3-(trifluoromethyl)-7H-[1,2,4]triazolo[4,3-a]pyrazine
  • 3-(Trifluoromethyl)-5,6,7,8-tetrahydro-1,2,4-triazole[4,3-a]pyrazine
  • 3-(Trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazol[4,3-a]pyrazine

Work with 3-(Trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-A]pyrazine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3-(Trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-A]pyrazine hydrochloride762240-92-690 % similar Sitagliptin deamino impurity 11253056-18-633 % similar 1-[5,6-Dihydro-3-(trifluoromethyl)-1,2,4-triazolo[4,3-A]pyrazin-7(8H)-yl]-4-(2,4,5-trifluorophenyl)-1,3-butanedione764667-65-433 % similar Sitagliptin486460-32-632 % similar (2Z)-3-Amino-1-[5,6-dihydro-3-(trifluoromethyl)-1,2,4-triazolo[4,3-A]pyrazin-7(8H)-yl]-4-(2,4,5-trifluorophenyl)-2-buten-1-one767340-03-432 % similar 2,4-Dihydro-4-methyl-5-(trifluoromethyl)-3H-1,2,4-triazole-3-thione30682-81-630 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook