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    BUILDING BLOCK

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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

    BUILDING BLOCK

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