CAS-584-13-4

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1 End Use APIs
8 Related Intermediates

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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

CAS 584-13-4

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 Formula	C₂H₄N₄
Molecular Weight	84.08 g/mol
XLogP3	-0.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	84.043596145 g/mol
Monoisotopic Mass	84.043596145 g/mol
Topological Polar Surface Area	56.7 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	38.8
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1