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

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    2D Structure
    Also known as: 762240-92-6, 3-(trifluoromethyl)-5h,6h,7h,8h-[1,2,4]triazolo[4,3-a]pyrazine hydrochloride, 3-(trifluoromethyl)-5,6,7,8-tetrahydro-1,2,4-triazolo[4,3-a]pyrazine hydrochloride, Sitagliptin impurity 18, Y0of5kv5ka, Mfcd09817638
    Molecular Formula
    C6H8ClF3N4
    Molecular Weight
    228.60  g/mol
    InChI Key
    AQCSCRYRCRORET-UHFFFAOYSA-N
    FDA UNII
    Y0OF5KV5KA
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride
    2.1.2 InChI
    InChI=1S/C6H7F3N4.ClH/c7-6(8,9)5-12-11-4-3-10-1-2-13(4)5;/h10H,1-3H2;1H
    2.1.3 InChI Key
    AQCSCRYRCRORET-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1CN2C(=NN=C2C(F)(F)F)CN1.Cl
    2.2 Other Identifiers
    2.2.1 UNII
    Y0OF5KV5KA
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 762240-92-6

    2. 3-(trifluoromethyl)-5h,6h,7h,8h-[1,2,4]triazolo[4,3-a]pyrazine Hydrochloride

    3. 3-(trifluoromethyl)-5,6,7,8-tetrahydro-1,2,4-triazolo[4,3-a]pyrazine Hydrochloride

    4. Sitagliptin Impurity 18

    5. Y0of5kv5ka

    6. Mfcd09817638

    7. 3-trifluoromethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine Hydrochloride

    8. 3-trifluoromethyl-5,6,7,8-tetrahydro-1,2,4-triazolo-[4,3-a]pyrazine Hydrochloride

    9. 3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine, Hcl

    10. 3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine Hcl

    11. 3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride

    12. 3-(trifluoromethyl)-5,6,7,8-tetrahydro-(1,2,4)triazolo(4,3-a)pyrazine Hydrochloride

    13. 3-(trifluoromethyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazine Hydrochloride

    14. Sitagliptin Intermediates

    15. Unii-y0of5kv5ka

    16. Ec 616-309-4

    17. Schembl332198

    18. Dtxsid20474800

    19. Bcp22639

    20. Cs-m0692

    21. 3-(trifluoromethyl)-1,2,4-triazolo[4,3-a]piperazine Hydrochloride

    22. Ac-807

    23. Rb3135

    24. Sitagliptin Impurity 20 Hydrochloride

    25. 3-(trifluoromethyl)-5,6,7,8-tetrahydro-1,2,4-triazolo-[4,3-a]pyrazine Hcl

    26. Akos005063627

    27. Ac-2623

    28. Pb32770

    29. 3-(trifluoromethyl)-5,6,7,8-tetrahydro(1,2,4)triazolo(4,3-a)pyrazine Hydrochloride (1:1)

    30. As-19088

    31. Sy002323

    32. Am20100748

    33. Ft-0656414

    34. T2998

    35. En300-82638

    36. 240t926

    37. A838647

    38. Q-102525

    39. 3-trifluoromethyl-[1,2,4]triazole[4,3-a]piperazinehydrochloride

    40. 3-(trifluoromethyl)-1,2,4-triazolo[4,3-a]piperazine Hydrochloride, Aldrichcpr

    41. 3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-

    42. A]pyrazine Hydrochloride

    43. 3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazinehydrochloride

    44. 3-(trifluoromethyl)-5,6,7,8-tetrahydro-1,2,4-triazolo[4,3-a]pyrazine Hcl

    45. 3-(trifluoromethyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazine Hydrochloric Acid

    46. 3-(trifluoromethyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazine, Hydrochloride Salt

    47. 3-(trifluoromethyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-alpha]pyrazine Hydrochloride

    48. 3-(trifluromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine Hydrochloride

    49. 3-trifluoromethyl-5,6,7,8-tetrahydro-1,2,4-triazolo[4,3-a]pyrazine Hydrochloride

    50. 3-trifluoromethyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazine Hydrochloride

    51. 1,2,4-triazolo(4,3-a)pyrazine, 5,6,7,8-tetrahydro-3-(trifluoromethyl)-, Hydrochloride (1:1)

    52. 3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4],triazolo[4,3-a]pyrazinehydrochloride

    53. 3-(trifluoromethyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazine--hydrogen Chloride (1/1)

    54. 3-(trifluoromethyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-alpha]pyrazine, Hydrochloride Salt

    2.4 Create Date
    2006-12-11
    3 Chemical and Physical Properties
    Molecular Weight 228.60 g/mol
    Molecular Formula C6H8ClF3N4
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count0
    Exact Mass228.0389585 g/mol
    Monoisotopic Mass228.0389585 g/mol
    Topological Polar Surface Area42.7 Ų
    Heavy Atom Count14
    Formal Charge0
    Complexity195
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2