CAS 4923-01-7

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Also known as: 4923-01-7, 3-methyl-1h-1,2,4-triazol-5-amine, 5-methyl-1h-1,2,4-triazol-3-amine, 3-amino-5-methyl-4h-1,2,4-triazole, 5-methyl-4h-1,2,4-triazol-3-ylamine, 3-amino-5-methyl-1,2,4-triazole

Molecular Formula

C₃H₆N₄

Molecular Weight

98.11 g/mol

InChI Key

FJRZOOICEHBAED-UHFFFAOYSA-N

1 2D Structure

CAS 4923-01-7

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

5-methyl-1H-1,2,4-triazol-3-amine

2.1.2 InChI

InChI=1S/C3H6N4/c1-2-5-3(4)7-6-2/h1H3,(H3,4,5,6,7)

2.1.3 InChI Key

FJRZOOICEHBAED-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=NC(=NN1)N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 4923-01-7

2. 3-methyl-1h-1,2,4-triazol-5-amine

3. 5-methyl-1h-1,2,4-triazol-3-amine

4. 3-amino-5-methyl-4h-1,2,4-triazole

5. 5-methyl-4h-1,2,4-triazol-3-ylamine

6. 3-amino-5-methyl-1,2,4-triazole

7. 53741-81-4

8. 3-amino-5-methyl-1h-1,2,4-triazole

9. 1h-1,2,4-triazol-3-amine, 5-methyl-

10. 26092-56-8

11. S-triazole, 3-amino-5-methyl-

12. 3-amino-5-methyl-4h-[1,2,4]triazole

13. 3-amino-5-methyl-1,4-triazole

14. 3-amino-5-methyl-1h-1,4-triazole

15. 1h-1,4-triazol-3-amine, 5-methyl-

16. Nsc34793

17. 3-amino-5-methyl-s-triazole

18. Dtxsid60284001

19. 3-amino-5-methyl-1h-s-triazole

20. 5-methyl-1,2,4-triazol-3-amine

21. Albb-004179

22. Amy32454

23. Zinc2566399

24. Bbl007835

25. Mfcd00205267

26. Mfcd00498236

27. Mfcd01114775

28. Nsc-34793

29. Nsc215161

30. Stk409699

31. Akos000103389

32. Akos000637975

33. Akos015955430

34. Cs-w019573

35. Lc-0715

36. Nsc-215161

37. 5-methyl-2h-1,2,4-triazol-3-amine

38. 5-methyl-4h-1,2,4-triazole-3-amine

39. (5-amino-1,2,4-triazol-3-yl)methane

40. 5-methyl-3-amino-4h-1,2,4-triazole

41. 1h-1,2,4-triazol-5-amine,3-methyl-

42. 5-methyl-4h-1,2,4-triazole-3-ylamine

43. 5-methyl-2h-[1,2,4]-triazol-3ylamine

44. 5-methyl-1h-1,2,4-triazol-3-ylamine #

45. 5-methyl-2h-[1,2,4]-triazol-3-ylamine

46. Ft-0615008

47. En300-59469

48. F30766

49. S10284

50. 3-methyl-1h-1,2,4-triazol-5-amine, Aldrichcpr

51. A913981

52. Ag-205/37166003

53. 3-amino-5-methyl-4h-1,2,4-triazole, Aldrichcpr

54. J-517791

55. Z951367902

2.3 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₃H₆N₄
Molecular Weight	98.11 g/mol
XLogP3	0
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	98.059246208 g/mol
Monoisotopic Mass	98.059246208 g/mol
Topological Polar Surface Area	67.6 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	64
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

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