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    CAS 219715-62-5

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 219715-62-5, 2-amino-5,8-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidine, [1,2,4]triazolo[1,5-c]pyrimidin-2-amine, 5,8-dimethoxy-, 5,8-dimethoxy(1,2,4)triazolo(1,5-c)pyrimidin-2-amine, 2-amino-5,8-dimethoxy-(1,2,4)triazolo(1,5-c)pyrimidine, (1,2,4)triazolo(1,5-c)pyrimidin-2-amine, 5,8-dimethoxy-
    Molecular Formula
    C7H9N5O2
    Molecular Weight
    195.18  g/mol
    InChI Key
    DBJPBHJHAPAUQU-UHFFFAOYSA-N
    FDA UNII
    0129526470
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    5,8-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine
    2.1.2 InChI
    InChI=1S/C7H9N5O2/c1-13-4-3-9-7(14-2)12-5(4)10-6(8)11-12/h3H,1-2H3,(H2,8,11)
    2.1.3 InChI Key
    DBJPBHJHAPAUQU-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    COC1=CN=C(N2C1=NC(=N2)N)OC
    2.2 Other Identifiers
    2.2.1 UNII
    0129526470
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 219715-62-5

    2. 2-amino-5,8-dimethoxy-[1,2,4]triazolo[1,5-c]pyrimidine

    3. [1,2,4]triazolo[1,5-c]pyrimidin-2-amine, 5,8-dimethoxy-

    4. 5,8-dimethoxy(1,2,4)triazolo(1,5-c)pyrimidin-2-amine

    5. 2-amino-5,8-dimethoxy-(1,2,4)triazolo(1,5-c)pyrimidine

    6. (1,2,4)triazolo(1,5-c)pyrimidin-2-amine, 5,8-dimethoxy-

    7. 5,8-dimethoxy[1,2,4]triazolo[1,5-c]pyrimidin-2-amine

    8. 2-amino-5,8-dimethoxy(1,2,4)triazolo[1,5-c]pyrimidine

    9. 2-amino-5,8-dimethoxy[1,2,4]triazolo[1,5-c]pyrimidine

    10. Schembl841314

    11. Amy3496

    12. Dtxsid70466114

    13. Bcp11311

    14. Mfcd17168561

    15. Zinc82237868

    16. Akos015999945

    17. Cs-w006757

    18. Unii-0129526470

    19. Ac-27550

    20. As-19932

    21. Db-017447

    22. A4709

    23. Bb 0262089

    24. Ft-0688434

    25. D70654

    26. Q27247522

    27. 2-amino-5,8-dimethoxy[1,2,4]triazolo[l,5-c]pyrimidine

    28. 2-amino-5,8-dimethoxy[1,2,4]-triazolo[1,5-c]pyrimidine

    29. 5,8-dimethoxy[1,2,4]triazolo[1,5-c]pyrimidine-2-amine

    30. 5,8-dimethoxy[1,2,4]triazolo-[1,5-c]pyrimidine-2-ylamine

    2.4 Create Date
    2006-10-26
    3 Chemical and Physical Properties
    Molecular Weight 195.18 g/mol
    Molecular Formula C7H9N5O2
    XLogP30
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count2
    Exact Mass195.07562455 g/mol
    Monoisotopic Mass195.07562455 g/mol
    Topological Polar Surface Area87.6 Ų
    Heavy Atom Count14
    Formal Charge0
    Complexity205
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1