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    CAS 55321-99-8

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 55321-99-8, T-1105, 2-oxo-1h-pyrazine-3-carboxamide, 3-oxo-3,4-dihydropyrazine-2-carboxamide, Pyrazinecarboxamide, 3,4-dihydro-3-oxo-, 3-hydroxy-2-pyrazinecarboxamide
    Molecular Formula
    C5H5N3O2
    Molecular Weight
    139.11  g/mol
    InChI Key
    SZPBAPFUXAADQV-UHFFFAOYSA-N
    FDA UNII
    5R3A375F7A
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-oxo-1H-pyrazine-3-carboxamide
    2.1.2 InChI
    InChI=1S/C5H5N3O2/c6-4(9)3-5(10)8-2-1-7-3/h1-2H,(H2,6,9)(H,8,10)
    2.1.3 InChI Key
    SZPBAPFUXAADQV-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CN=C(C(=O)N1)C(=O)N
    2.2 Other Identifiers
    2.2.1 UNII
    5R3A375F7A
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. T 1105

    2. T-1105

    3. T1105 Cpd

    2.3.2 Depositor-Supplied Synonyms

    1. 55321-99-8

    2. T-1105

    3. 2-oxo-1h-pyrazine-3-carboxamide

    4. 3-oxo-3,4-dihydropyrazine-2-carboxamide

    5. Pyrazinecarboxamide, 3,4-dihydro-3-oxo-

    6. 3-hydroxy-2-pyrazinecarboxamide

    7. Pyrazine-2-carboxamide, 3-hydroxy-

    8. Nsc163503

    9. 5r3a375f7a

    10. Mfcd00233977

    11. Nsc-163503

    12. 3,4-dihydro-3-oxo-2-pyrazinecarboxamide

    13. 2-pyrazinecarboxamide, 3,4-dihydro-3-oxo-

    14. 3-hydroxypyrazine-2-carboxamine

    15. Unii-5r3a375f7a

    16. Schembl1338425

    17. Zinc8657

    18. Chembl4167765

    19. 3-hydroxy-pyrazine-2-carboxamide

    20. Dtxsid10203888

    21. 2-pyrazinecarboxamide, 3-hydroxy-

    22. 3-hydroxy-2-pyrazinecarboxamide #

    23. Bcp03021

    24. Akos005166970

    25. Akos015950901

    26. Cs-w016480

    27. Hy-w015764

    28. Nsc 163503

    29. Ac-25579

    30. Sy017450

    31. Db-000194

    32. Am20070364

    33. Ft-0686914

    34. H1485

    35. T 1105

    36. 321h998

    37. A846786

    38. Q-103306

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 139.11 g/mol
    Molecular Formula C5H5N3O2
    XLogP3-0.9
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count1
    Exact Mass139.038176411 g/mol
    Monoisotopic Mass139.038176411 g/mol
    Topological Polar Surface Area84.6 Ų
    Heavy Atom Count10
    Formal Charge0
    Complexity241
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1