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    Chemistry

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    Also known as: 1033810-70-6, 3h-[1,2,4]triazolo[1,5-a]pyridin-7-one, Mfcd22394734, 3h,7h-[1,2,4]triazolo[1,5-a]pyridin-7-one, 7-hydroxy-[1,2,4]triazolo[1,5-a]pyridine, Schembl1192186
    Molecular Formula
    C6H5N3O
    Molecular Weight
    135.12  g/mol
    InChI Key
    BABOSZMRHSQJCE-UHFFFAOYSA-N
    CAS 1033810-70-6
    1 2D Structure

    CAS 1033810-70-6

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3H-[1,2,4]triazolo[1,5-a]pyridin-7-one
    2.1.2 InChI
    InChI=1S/C6H5N3O/c10-5-1-2-9-6(3-5)7-4-8-9/h1-4H,(H,7,8)
    2.1.3 InChI Key
    BABOSZMRHSQJCE-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CN2C(=CC1=O)N=CN2
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 1033810-70-6

    2. 3h-[1,2,4]triazolo[1,5-a]pyridin-7-one

    3. Mfcd22394734

    4. 3h,7h-[1,2,4]triazolo[1,5-a]pyridin-7-one

    5. 7-hydroxy-[1,2,4]triazolo[1,5-a]pyridine

    6. Schembl1192186

    7. Zinc18543433

    8. Akos023556544

    9. Sb21234

    10. As-61710

    11. Sy056792

    12. [1,2,4]-triazolo[1,5-a]pyridin-7-ol

    13. Cs-0084736

    14. A896476

    2.3 Create Date
    2012-11-30
    3 Chemical and Physical Properties
    Molecular Weight 135.12 g/mol
    Molecular Formula C6H5N3O
    XLogP3-0.3
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count3
    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

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