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    CAS 584-13-4 manufacturers and suppliers on PharmaCompass

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    4H-1,2,4-Triazol-4-amine

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    4H-1,2,4-Triazol-4-amine
    Also known as: 584-13-4, 4-amino-4h-1,2,4-triazole, 4h-1,2,4-triazol-4-amine, 1,2,4-triazol-4-amine, 1-amino-1,3,4-triazole, 4h-1,2,4-triazole, 4-amino-
    Molecular Formula
    C2H4N4
    Molecular Weight
    84.08  g/mol
    InChI Key
    FMCUPJKTGNBGEC-UHFFFAOYSA-N
    FDA UNII
    O57Y04816H
    1 2D Structure

    4H-1,2,4-Triazol-4-amine

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1,2,4-triazol-4-amine
    2.1.2 InChI
    InChI=1S/C2H4N4/c3-6-1-4-5-2-6/h1-2H,3H2
    2.1.3 InChI Key
    FMCUPJKTGNBGEC-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=NN=CN1N
    2.2 Other Identifiers
    2.2.1 UNII
    O57Y04816H
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 584-13-4

    2. 4-amino-4h-1,2,4-triazole

    3. 4h-1,2,4-triazol-4-amine

    4. 1,2,4-triazol-4-amine

    5. 1-amino-1,3,4-triazole

    6. 4h-1,2,4-triazole, 4-amino-

    7. 1-amino-1h-1,3,4-triazole

    8. 4-amino-1,2,4(4h)-triazole

    9. Mfcd00003099

    10. [1,2,4]triazol-4-ylamine

    11. Nsc-3263

    12. Nsc-7242

    13. O57y04816h

    14. 1-amino-1,4-triazole

    15. 4-amino-1,4-triazole

    16. Dsstox_cid_13058

    17. Dsstox_rid_79048

    18. 4h-1,4-triazol-4-amine

    19. Dsstox_gsid_33058

    20. 1-amino-1h-1,4-triazole

    21. 4-amino-4h-1,4-triazole

    22. 4-amino-1,4(4h)-triazole

    23. 4h-1,4-triazole, 4-amino-

    24. 4h-1,2,4-triazol-4-ylamine

    25. Nsc 7242

    26. Cas-584-13-4

    27. Nsc 3263

    28. Einecs 209-533-5

    29. Brn 0107563

    30. Ai3-23640

    31. Unii-o57y04816h

    32. 4-amino[1,2,4]triazole

    33. 1,2,4-triazol-4-ylamine

    34. 5-26-01-00095 (beilstein Handbook Reference)

    35. 4h-1,2,4-triazole-4-amine

    36. Chembl1868166

    37. Dtxsid9033058

    38. Fmcupjktgnbgec-uhfffaoysa-

    39. Nsc3263

    40. Nsc7242

    41. 4-amino-[1,2,4]triazole

    42. 4h-[1,2,4]triazol-4-yl-amine

    43. Str01763

    44. Zinc4692512

    45. Tox21_201893

    46. Tox21_300197

    47. Ac7809

    48. Stk396235

    49. 4-amino-1,2,4-triazolehydrochloride

    50. Akos000119326

    51. Cs-w019307

    52. Ps-9366

    53. Ncgc00090928-01

    54. Ncgc00090928-02

    55. Ncgc00090928-03

    56. Ncgc00254186-01

    57. Ncgc00259442-01

    58. Sy001769

    59. Db-001283

    60. Am20100424

    61. Ft-0617424

    62. 84a134

    63. A831867

    64. W-105389

    65. 4-amino-4h-1,2,4-triazole, Reagentplus(r), 99%

    66. Q27285357

    67. F1918-0006

    68. 4-amino-4h-1,2,4-triazole, Vetec(tm) Reagent Grade, 98%

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 84.08 g/mol
    Molecular Formula C2H4N4
    XLogP3-0.8
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count0
    Exact Mass84.043596145 g/mol
    Monoisotopic Mass84.043596145 g/mol
    Topological Polar Surface Area56.7 Ų
    Heavy Atom Count6
    Formal Charge0
    Complexity38.8
    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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