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2D Structure
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

2D Structure

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 Weight 98.11 g/mol
Molecular Formula C3H6N4
XLogP30
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass98.059246208 g/mol
Monoisotopic Mass98.059246208 g/mol
Topological Polar Surface Area67.6 Ų
Heavy Atom Count7
Formal Charge0
Complexity64
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1