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    Chemistry

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    Also known as: 259793-97-0, 3-hydroxy-6-nitropyrazine-2-carboxamide, 5-nitro-2-oxo-1h-pyrazine-3-carboxamide, 2-pyrazinecarboxamide, 6-nitro-3,4-dihydro-3-oxo-, Schembl2698093, Dtxsid70627389
    Molecular Formula
    C5H4N4O4
    Molecular Weight
    184.11  g/mol
    InChI Key
    OSFLEHUTGSKIPE-UHFFFAOYSA-N
    CAS 259793-97-0
    1 2D Structure

    CAS 259793-97-0

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    5-nitro-2-oxo-1H-pyrazine-3-carboxamide
    2.1.2 InChI
    InChI=1S/C5H4N4O4/c6-4(10)3-5(11)7-1-2(8-3)9(12)13/h1H,(H2,6,10)(H,7,11)
    2.1.3 InChI Key
    OSFLEHUTGSKIPE-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=C(N=C(C(=O)N1)C(=O)N)[N+](=O)[O-]
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 259793-97-0

    2. 3-hydroxy-6-nitropyrazine-2-carboxamide

    3. 5-nitro-2-oxo-1h-pyrazine-3-carboxamide

    4. 2-pyrazinecarboxamide, 6-nitro-3,4-dihydro-3-oxo-

    5. Schembl2698093

    6. Dtxsid70627389

    7. Mfcd21648235

    8. Zinc77011398

    9. Akos005166862

    10. Akos022182796

    11. 3-hydroxy-6-nitro-2-pyrazinecarboxamide

    12. Cs-0450171

    13. F19605

    2.3 Create Date
    2007-12-05
    3 Chemical and Physical Properties
    Molecular Weight 184.11 g/mol
    Molecular Formula C5H4N4O4
    XLogP3-0.8
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count1
    Exact Mass184.02325462 g/mol
    Monoisotopic Mass184.02325462 g/mol
    Topological Polar Surface Area130 Ų
    Heavy Atom Count13
    Formal Charge0
    Complexity350
    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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