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    CAS 5424-01-1

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 5424-01-1, 3-amino-2-pyrazinecarboxylic acid, Pyrazinecarboxylic acid, 3-amino-, 2-amino-3-pyrazinecarboxylic acid, Mfcd00006141, 3-aminopyrazinecarboxylic acid
    Molecular Formula
    C5H5N3O2
    Molecular Weight
    139.11  g/mol
    InChI Key
    ZAGZIOYVEIDDJA-UHFFFAOYSA-N
    FDA UNII
    X78B5D12FN
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3-aminopyrazine-2-carboxylic acid
    2.1.2 InChI
    InChI=1S/C5H5N3O2/c6-4-3(5(9)10)7-1-2-8-4/h1-2H,(H2,6,8)(H,9,10)
    2.1.3 InChI Key
    ZAGZIOYVEIDDJA-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CN=C(C(=N1)C(=O)O)N
    2.2 Other Identifiers
    2.2.1 UNII
    X78B5D12FN
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 5424-01-1

    2. 3-amino-2-pyrazinecarboxylic Acid

    3. Pyrazinecarboxylic Acid, 3-amino-

    4. 2-amino-3-pyrazinecarboxylic Acid

    5. Mfcd00006141

    6. 3-aminopyrazinecarboxylic Acid

    7. Nsc13148

    8. 2-amino-3-carboxypyrazine

    9. X78b5d12fn

    10. Nsc 13148

    11. Nsc-13148

    12. Nsc225114

    13. Nsc-225114

    14. 2-aminopyrazine-3-carboxylic Acid

    15. Nsc135056

    16. 3-aminopiperazine-2-carboxylic Acid

    17. Deacetylhypnosin

    18. 3-aminopyrazinoic Acid

    19. 59698-27-0

    20. 2-pyrazinecarboxylic Acid, 3-amino-

    21. 3-amino-2-carboxypyrazine

    22. Unii-x78b5d12fn

    23. Oprea1_107188

    24. Schembl65106

    25. 3-aminopyrazine Carboxylic Acid

    26. 3-aminopyrazine-2-carboxylicacid

    27. Dtxsid20202589

    28. Hms1786j07

    29. Zinc967253

    30. 3-amino-2-pyrazinoic Acid

    31. Pyrazinoic Acid, 3-amino-

    32. 3-amino-pyrazine-2-carboxylic Acid

    33. Act01758

    34. Str04136

    35. Einecs 226-558-7

    36. Stk525001

    37. Akos000121386

    38. Ab00606

    39. Ac-1268

    40. Cs-w020071

    41. Ms-0291

    42. Nsc 225114

    43. Sy005247

    44. 3-amino-2-pyrazinecarboxylic Acid, >=99%

    45. Ai3-61137

    46. Db-022275

    47. A0848

    48. Am20070435

    49. Ft-0614898

    50. Ft-0615066

    51. Ec 226-558-7

    52. 424a011

    53. Ab-323/25048525

    54. W-105651

    55. Z56818526

    56. F8880-4479

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 139.11 g/mol
    Molecular Formula C5H5N3O2
    XLogP3-0.2
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count1
    Exact Mass139.038176411 g/mol
    Monoisotopic Mass139.038176411 g/mol
    Topological Polar Surface Area89.1 Ų
    Heavy Atom Count10
    Formal Charge0
    Complexity139
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1