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762240-92-6

Basic Information
CAS No.: 762240-92-6
Name: 3-(Trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine hydrochloride
Molecular Structure:
Molecular Structure of 762240-92-6 (3-(Trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine hydrochloride)
Formula: C6H7F3N4.HCl
Molecular Weight: 228.60
Synonyms: 1,2,4-Triazolo[4,3-a]pyrazine,5,6,7,8-tetrahydro-3-(trifluoromethyl)-, monohydrochloride (9CI);3-(Trifluoromethyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazinemonohydrochloride;3-(Trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine HCl;
EINECS: 616-309-4
Density:
Melting Point: 236-246oC
Boiling Point: 266.2 °C at 760 mmHg
Flash Point: 114.8 °C
Solubility:
Appearance: white solid
Hazard Symbols: T
Risk Codes: 25
Safety: 45
Transport Information:
PSA: 42.74000
LogP: 1.53090
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Specification

The 3-(Trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine hydrochloride, with the CAS registry number 762240-92-6. This chemical's molecular formula is C6H8ClF3N4 and molecular weight is 228.6. What's more,Its systematic name is 3-(Trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine hydrochloride.It is a White Solid and it is Sitagliptin intermediate.

Physical properties about 3-(Trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine hydrochloride are:
(1)ACD/LogP:  -0.206; (2)# of Rule of 5 Violations:  0; (3)#H bond acceptors:  4; (4)#H bond donors:  1; (5)#Freely Rotating Bonds:  0; (6)Flash Point:  114.8 °C; (7)Enthalpy of Vaporization:  50.41 kJ/mol ; (8)Boiling Point:  266.2 °C at 760 mmHg; (9)Vapour Pressure:  0.00879 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES:Cl.FC(F)(F)c1nnc2n1CCNC2;
(2)Std. InChI:InChI=1S/C6H7F3N4.ClH/c7-6(8,9)5-12-11-4-3-10-1-2-13(4)5;/h10H,1-3H2;1H;
(3)Std. InChIKey:AQCSCRYRCRORET-UHFFFAOYSA-N.