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Overview of CAS 584-13-4

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4H-1,4-Triazol-4-amine
PharmaCompass
  • Chemistry
4H-1,4-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
84.082  g/mol
InChI Key
FMCUPJKTGNBGEC-UHFFFAOYSA-N
FDA UNII
O57Y04816H

1 2D Structure

4H-1,4-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. Nsc 7242

10. Unii-o57y04816h

11. 4h-1,2,4-triazol-4-ylamine

12. Nsc 3263

13. Einecs 209-533-5

14. Brn 0107563

15. Ai3-23640

16. Fmcupjktgnbgec-uhfffaoysa-n

17. O57y04816h

18. 1-amino-1,4-triazole

19. 4-amino-1,4-triazole

20. Dsstox_cid_13058

21. Dsstox_rid_79048

22. 4h-1,4-triazol-4-amine

23. Dsstox_gsid_33058

24. 1,2,4-triazole-4-ylamine

25. 1-amino-1h-1,4-triazole

26. 4-amino-4h-1,4-triazole

27. 4-amino-1,4(4h)-triazole

28. 4h-1,4-triazole, 4-amino-

29. 4-amino-4h-1,2,4-triazole, 99%

30. Cas-584-13-4

31. Pubchem14499

32. Ac1l1xcg

33. Acmc-209m4e

34. Ac1q54qo

35. 4-amino[1,2,4]triazole

36. 1,2,4-triazol-4-ylamine

37. 5-26-01-00095 (beilstein Handbook Reference)

38. Ksc269s3n

39. [1,2,4]triazol-4-ylamine

40. 4h-1,2,4-triazole-4-amine

41. Chembl1868166

42. Dtxsid9033058

43. Ctk1g9936

44. Fmcupjktgnbgec-uhfffaoysa-

45. Nsc3263

46. Nsc7242

47. 4h-[1,2,4]triazol-4-yl-amine

48. Nsc-3263

49. Nsc-7242

50. Str01763

51. Zinc4692512

52. Tox21_201893

53. Tox21_300197

54. Anw-32940

55. Bbl008526

56. Mfcd00003099

57. Sbb004399

58. Stk396235

59. 4-amino-1,2,4-triazole Hcl

60. Akos000119326

61. Cs-w019307

62. Ls40427

63. Mcule-5774472936

64. Ps-9366

65. Rp18416

66. Rtr-020301

67. Tra0076963

68. Ncgc00090928-01

69. Ncgc00090928-02

70. Ncgc00090928-03

71. Ncgc00254186-01

72. Ncgc00259442-01

73. Aj-51936

74. Ak-47280

75. An-46104

76. Br-47280

77. Cj-12212

78. Sc-17646

79. Sy001769

80. Ab0062824

81. Ab1001247

82. Db-001283

83. Ls-155753

84. Tl8003741

85. Tr-020301

86. Am20100424

87. Ft-0617424

88. St24032840

89. St45139284

90. Mfcd00003099 (98%)

91. 84a134

92. 15595-ep2289892a1

93. 15595-ep2305683a1

94. 15595-ep2311839a1

95. 15595-ep2311840a1

96. 15595-ep2314589a1

97. 15595-ep2316837a1

98. A831867

99. I05-0102

100. W-105389

101. 4-amino-4h-1,2,4-triazole, Reagentplus(r), 99%

102. F1918-0006

103. Inchi=1/c2h4n4/c3-6-1-4-5-2-6/h1-2h,3h2

104. 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 84.082 g/mol
Molecular Formula C2H4N4
XLogP3-0.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass84.044 g/mol
Monoisotopic Mass84.044 g/mol
Topological Polar Surface Area56.7 A^2
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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