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    CAS 6969-71-7

    BUILDING BLOCK

    PharmaCompass
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    2D Structure
    Also known as: 6969-71-7, [1,2,4]triazolo[4,3-a]pyridin-3(2h)-one, 2h-[1,2,4]triazolo[4,3-a]pyridin-3-one, 1,2,4-triazolo(4,3-a)pyridin-3(2h)-one, [1,2,4]triazolo[4,3-a]pyridin-3-ol, J5ewp6l1va
    Molecular Formula
    C6H5N3O
    Molecular Weight
    135.12  g/mol
    InChI Key
    LJRXNXBFJXXRNQ-UHFFFAOYSA-N
    FDA UNII
    J5EWP6L1VA
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
    2.1.2 InChI
    InChI=1S/C6H5N3O/c10-6-8-7-5-3-1-2-4-9(5)6/h1-4H,(H,8,10)
    2.1.3 InChI Key
    LJRXNXBFJXXRNQ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC2=NNC(=O)N2C=C1
    2.2 Other Identifiers
    2.2.1 UNII
    J5EWP6L1VA
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 6969-71-7

    2. [1,2,4]triazolo[4,3-a]pyridin-3(2h)-one

    3. 2h-[1,2,4]triazolo[4,3-a]pyridin-3-one

    4. 1,2,4-triazolo(4,3-a)pyridin-3(2h)-one

    5. [1,2,4]triazolo[4,3-a]pyridin-3-ol

    6. J5ewp6l1va

    7. 1,2,4-triazolo[4,3-a]pyridine-3(2h)-one

    8. 2h,3h-[1,2,4]triazolo[4,3-a]pyridin-3-one

    9. 3-hydroxytriazolo[4,3-a]pyridine

    10. Mfcd00022632

    11. Nsc-68462

    12. 3-hydroxytriazolo(4,3-a)pyridine

    13. S-triazolo[4,3-a]pyridin-3-ol

    14. Nsc68462

    15. Einecs 230-191-8

    16. Nsc 68462

    17. Unii-j5ewp6l1va

    18. 1,2,4-triazolo-[4,3,a]pyridin-3(2h)-one

    19. Ec 230-191-8

    20. Mls006011497

    21. Schembl103370

    22. 1,2,4-triazolopyridin-3-one

    23. Ljrxnxbfjxxrnq-uhfffaoysa-

    24. Dtxsid70219980

    25. Hms1755a19

    26. Bcp03573

    27. Zinc2654018

    28. Akos000121574

    29. Akos004910247

    30. Ac-7639

    31. Gf-0127

    32. Triazolopyridinone [usp Impurity]

    33. 124-triazolo[43-a]pyridin-3(2h)-one

    34. Smr004703276

    35. Sy036845

    36. 1,4-triazolo[4,3-a]pyridin-3(2h)-one

    37. Db-018728

    38. 1,2,4-triazolo[4,3a]pyridin-3(2h)-one

    39. 3-hydroxy-1,2,4-triazolo[4,3-a]pyridine

    40. A9218

    41. Am20061449

    42. Cs-0046232

    43. Ft-0606247

    44. T1667

    45. 2h-[1,2,4]triazolo[4,5-a]pyridin-3-one

    46. 1,2,4-triazolo[4,3-a]pyridin-3(2h)-one,

    47. 69t717

    48. F14880

    49. [1,2,4]triazolo[4,3-a]pyridin-3(2h);-one

    50. [1,2,4]triazolo[4,3-a]pyridin-3-(2h)-one

    51. Sr-01000945133

    52. Sr-01000945133-1

    53. W-104602

    54. 1,2,4-triazolo[4,3-a]pyridin-3(2h)-one, 97%

    55. 2,4-dihydro-[1,2,4]triazolo[4,5-a]pyridin-3-one

    56. Z56987654

    57. F2113-0215

    58. F3095-0220

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 135.12 g/mol
    Molecular Formula C6H5N3O
    XLogP30
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count0
    Exact Mass135.043261791 g/mol
    Monoisotopic Mass135.043261791 g/mol
    Topological Polar Surface Area44.7 Ų
    Heavy Atom Count10
    Formal Charge0
    Complexity264
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1