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

HCID 11961371

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Basic information

CAS: 762240-92-6
Standard SMILES: Cl.FC(F)(F)c1nnc2n1CCNC2
InChIKey: AQCSCRYRCRORET-UHFFFAOYSA-N
Molecular formula: C6H8ClF3N4
Average molar mass: 228.6 g/mol
Monoisotopic mass: 228.0389586

Names & identifiers

Preferred name: 3-(Trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine hydrochloride
IUPAC: 3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride

Names & synonyms

762240-92-63-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine hydrochlorideY0OF5KV5KAUNII-Y0OF5KV5KAEC 616-309-43-(Trifluoromethyl)-5,6,7,8-tetrahydro(1,2,4)triazolo(4,3-a)pyrazine hydrochloride (1:1)3-(Trifluoromethyl)-5,6,7,8-tetrahydro-(1,2,4)triazolo(4,3-a)pyrazine hydrochloride1,2,4-TRIAZOLO(4,3-A)PYRAZINE, 5,6,7,8-TETRAHYDRO-3-(TRIFLUOROMETHYL)-, HYDROCHLORIDE (1:1)3-(Trifluoromethyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazine hydrochloride (1:1)1,2,4-Triazolo[4,3-a]pyrazine, 5,6,7,8-tetrahydro-3-(trifluoromethyl)-, hydrochloride (1:1)RefChem:927483-(trifluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine hydrochloride

Show more names

MFCD09817638Sitagliptin Impurity 183-(trifluoromethyl)-5,6,7,8-tetrahydro-1,2,4-triazolo[4,3-a]pyrazine hydrochloride3-(Trifluoromethyl)Sitagliptin Triazole Hydrochloride3-trifluoromethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine hydrochloride3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride3-Trifluoromethyl-5,6,7,8-tetrahydro-1,2,4-triazolo-[4,3-a]pyrazine hydrochloride

Database identifiers

CAS: 762240-92-6
PubChem CID: 11961371
DTXSID: DTXSID20474800
ChEMBL: CHEMBL6144771
UNII: Y0OF5KV5KA
EC Number: 616-309-4

Properties

Computed structural propertiesFilling in

Topological polar surface area: 42.7 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 6
Rotatable bonds: 0
Heavy atoms: 14
Formal charge: 0
Complexity: 195

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (97.1%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 35 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.