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2D Structure
Also known as: 4076-36-2, 5-methyl-1h-tetrazole, 5-methyl tetrazole, 5-methyl-2h-tetrazole, 5-methyl-1h-tertazole, Tetrazole, 5-methyl-
Molecular Formula
C2H4N4
Molecular Weight
84.08  g/mol
InChI Key
XZGLNCKSNVGDNX-UHFFFAOYSA-N
FDA UNII
G22VBQ3QPY

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
5-methyl-2H-tetrazole
2.1.2 InChI
InChI=1S/C2H4N4/c1-2-3-5-6-4-2/h1H3,(H,3,4,5,6)
2.1.3 InChI Key
XZGLNCKSNVGDNX-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC1=NNN=N1
2.2 Other Identifiers
2.2.1 UNII
G22VBQ3QPY
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 4076-36-2

2. 5-methyl-1h-tetrazole

3. 5-methyl Tetrazole

4. 5-methyl-2h-tetrazole

5. 5-methyl-1h-tertazole

6. Tetrazole, 5-methyl-

7. 1h-tetrazole, 5-methyl-

8. 2h-tetrazole, 5-methyl-

9. G22vbq3qpy

10. Nsc-11136

11. 51855-49-3

12. Methyltetrazole

13. Nsc11136

14. 5-methyl-2h-1,2,3,4-tetrazole

15. 5-methyl-1h-1,2,3,4-tetraazole

16. Mfcd00129971

17. 5-methyl-1h Tetrazole

18. 5-methyl-1h-1,2,3,4-tetrazole

19. Unii-g22vbq3qpy

20. 5-methyl-1h-tetraazole #

21. Chembl477368

22. M 5t

23. 5-methyl-1,2,3,4-tetrazole

24. 5-methyl-1h-tetrazole, 97%

25. Dtxsid0074710

26. Xzglncksnvgdnx-uhfffaoysa-

27. Act08262

28. Albb-013537

29. Bcp22228

30. Zinc5211973

31. 5-methyl-1h-1,2,3,4-tertazole

32. Nsc 11136

33. Stk523132

34. Akos000263048

35. Akos005174188

36. Gs-3021

37. Sy031544

38. Db-025317

39. Bb 0262337

40. Ft-0602357

41. A825278

42. J-517733

43. F0001-1152

44. Xjm

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 84.08 g/mol
Molecular Formula C2H4N4
XLogP3-0.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass84.043596145 g/mol
Monoisotopic Mass84.043596145 g/mol
Topological Polar Surface Area54.5 Ų
Heavy Atom Count6
Formal Charge0
Complexity44.8
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1