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

C6H8ClF3N4CAS 762240-92-6228.60 g/mol

Open in Covalent MOL file
HClFFFNNNHN
Alkyl halideSecondary amine

Properties

Molecular formula
C6H8ClF3N4
Molar mass
228.60 g/mol
Exact mass
228.0390 Da
Melting point
264 °C (decomposes)
logP
0.82Crippen estimate
Polar surface area
42.7 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 35 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
762240-92-6
SMILES
Cl.FC(F)(F)c1nnc2n1CCNC2
InChIKey
AQCSCRYRCRORET-UHFFFAOYSA-N
InChI
InChI=1S/C6H7F3N4.ClH/c7-6(8,9)5-12-11-4-3-10-1-2-13(4)5;/h10H,1-3H2;1H

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

Names and synonyms

3 names
  • 1,2,4-Triazolo[4,3-a]pyrazine, 5,6,7,8-tetrahydro-3-(trifluoromethyl)-, hydrochloride (1:1)
  • 1,2,4-Triazolo[4,3-a]pyrazine, 5,6,7,8-tetrahydro-3-(trifluoromethyl)-, monohydrochloride
  • 3-(Trifluoromethyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazine monohydrochloride

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

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

3-(Trifluoromethyl)-5,6,7,8-tetrahydro-(1,2,4)triazolo(4,3-a)pyrazine486460-21-3Free base

Similar compounds

Ethyl 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-A]pyrazine-3-carboxylate723286-68-837 % similar 7-Trifluoromethyl-1,2,3,4-tetrahydro-isoquinoline hydrochloride220247-87-032 % similar Sitagliptin deamino impurity 11253056-18-632 % similar 1-(3-(Trifluoromethyl)-5,6-dihydro(1,2,4)triazolo(4,3-a)pyrazin-7(8H)-yl)-4-(2,4,5-trifluorophenyl)butane-1,3-dione764667-65-432 % similar 5,6,7,8-Tetrahydroimidazo(1,2-a)pyrazine91476-80-131 % similar Sitagliptin486460-32-631 % similar Sitagliptin triazecine analog2088771-61-130 % similar Sitagliptin enamine767340-03-430 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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