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    Technical details about CAS 931-86-2, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 931-86-2

    BUILDING BLOCK

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    2D Structure
    Also known as: 931-86-2, 4-amino-1,3,5-triazin-2-one, 1,3,5-triazin-2(1h)-one, 4-amino-, 6-amino-1h-1,3,5-triazin-2-one, 4-amino-1,3,5-triazin-2-ol, 4-amino-1,3,5-triazin-2(1h)-one
    Molecular Formula
    C3H4N4O
    Molecular Weight
    112.09  g/mol
    InChI Key
    MFEFTTYGMZOIKO-UHFFFAOYSA-N
    FDA UNII
    C5UW4MS7VR
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    6-amino-1H-1,3,5-triazin-2-one
    2.1.2 InChI
    InChI=1S/C3H4N4O/c4-2-5-1-6-3(8)7-2/h1H,(H3,4,5,6,7,8)
    2.1.3 InChI Key
    MFEFTTYGMZOIKO-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=NC(=O)NC(=N1)N
    2.2 Other Identifiers
    2.2.1 UNII
    C5UW4MS7VR
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 931-86-2

    2. 4-amino-1,3,5-triazin-2-one

    3. 1,3,5-triazin-2(1h)-one, 4-amino-

    4. 6-amino-1h-1,3,5-triazin-2-one

    5. 4-amino-1,3,5-triazin-2-ol

    6. 4-amino-1,3,5-triazin-2(1h)-one

    7. 6-amino-1,3,5-triazin-2(1h)-one

    8. 5-aza Cytosine

    9. S-triazin-2(1h)-one, 4-amino-

    10. S-triazin-2-ol, 4-amino-

    11. Nsc 54006

    12. 2-amino-4-hydroxy-s-triazine

    13. C5uw4ms7vr

    14. 2-hydroxy-4-aminotriazine

    15. 4040-10-2

    16. 4-amino-s-triazin-2(1h)-one

    17. Chembl1230389

    18. 6-amino-1,2-dihydro-1,3,5-triazin-2-one

    19. Chebi:72474

    20. 2-amino-4-hydroxy-1,3,5-triazine

    21. 4-amino-2-hydroxy-1,3,5-triazine

    22. Mfcd00006033

    23. Nsc-51100

    24. Nsc-54006

    25. 4-amino-1h-1,3,5-triazin-2-one

    26. 5-azacytosine (4-amino-1,3,5-triazin-2(1h)-one)

    27. 1118000-83-1

    28. Einecs 213-242-9

    29. Nsc 51100

    30. Azacytosine

    31. Azacitidine Related Compound A

    32. 5-aza-cytosine

    33. 5az

    34. Unii-c5uw4ms7vr

    35. Schembl13863

    36. 2-amino-4-hydroxy-sym-triazine

    37. Schembl21169645

    38. Dtxsid80239275

    39. Bcp22914

    40. Nsc51100

    41. Nsc54006

    42. Bdbm50389508

    43. Mfcd00051007

    44. Zinc12358729

    45. Akos002658026

    46. Akos015854832

    47. Akos015919837

    48. Am81319

    49. 4-methoxy Phencyclidine-d4 Hydrochloride

    50. 1216950-61-6

    51. Ac-12915

    52. As-10943

    53. Sy030603

    54. 4-amino-1,3,5-triazin-2(1h)-one #

    55. Db-006956

    56. Cs-0008471

    57. Ft-0601310

    58. A-9450

    59. A51119

    60. Azacitidine Related Compound A [usp-rs]

    61. 931a862

    62. A844469

    63. 3,4-dihydro-2h-benzo[1,4]oxazine-6-carboxylicacid

    64. Q27139948

    65. Z1962222528

    66. 2-amino-4-hydroxy-1,3,5-triazine; 4-amino-1,3,5-triazin-2-one

    67. Azacitidine Related Compound A, United States Pharmacopeia (usp) Reference Standard

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 112.09 g/mol
    Molecular Formula C3H4N4O
    XLogP3-1.2
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count0
    Exact Mass112.03851076 g/mol
    Monoisotopic Mass112.03851076 g/mol
    Topological Polar Surface Area79.8 Ų
    Heavy Atom Count8
    Formal Charge0
    Complexity170
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1