CAS-41253-21-8

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Also known as: 41253-21-8, Sodium 1,2,4-triazol-1-ide, 1,2,4-triazolylsodium, Sodium 1,2,4-triazolide, 1,2,4-triazole sodium derivative, Sodium 1h-1,2,4-triazolate

Molecular Formula

C₂H₂N₃Na

Molecular Weight

91.05 g/mol

InChI Key

NVMNEWNGLGACBB-UHFFFAOYSA-N

FDA UNII

X90002Y44E

1 2D Structure

CAS 41253-21-8

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

sodium;2,4-diaza-1-azanidacyclopenta-2,4-diene

2.1.2 InChI

InChI=1S/C2H2N3.Na/c1-3-2-5-4-1;/h1-2H;/q-1;+1

2.1.3 InChI Key

NVMNEWNGLGACBB-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=NC=N[N-]1.[Na+]

2.2 Other Identifiers

2.2.1 UNII

X90002Y44E

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 41253-21-8

2. Sodium 1,2,4-triazol-1-ide

3. 1,2,4-triazolylsodium

4. Sodium 1,2,4-triazolide

5. 1,2,4-triazole Sodium Derivative

6. Sodium 1h-1,2,4-triazolate

7. 1,2,4-triazole Sodium Salt

8. 1,2,4-triazole, Sodium Salt

9. Sodium 1h-1,2,4-triazolide

10. 1,2,4-triazole Sodium

11. Sodium-1,2,4-triazolide

12. 1h-1,2,4-triazole, Sodium Salt (1:1)

13. Sodium;2,4-diaza-1-azanidacyclopenta-2,4-diene

14. Mfcd00044437

15. X90002y44e

16. 1h-1,2,4-triazole Sodium Salt

17. Smr000857331

18. Einecs 255-280-9

19. Unii-x90002y44e

20. Sodium-1,2,4-triazole

21. Ec 255-280-9

22. Dsstox_cid_12722

23. Dsstox_rid_79035

24. Dsstox_gsid_32722

25. Nsc 83128 (sodium)

26. Mls001335997

27. Mls001335998

28. Sodium1,2,4-triazol-1-ide

29. 1,2,4-triazol-1-yl Sodium

30. Chembl1377189

31. Dtxsid6032722

32. 1-sodio-1h-1,2,4-triazole

33. Act03387

34. Tox21_200054

35. Akos015914928

36. Akos015964116

37. Akos025310702

38. Ncgc00090960-01

39. Ncgc00257608-01

40. Ac-18516

41. Bp-12613

42. Sy004810

43. Sodium 1h-1,2,4-triazol-1-ide

44. Cas-41253-21-8

45. J321.870h

46. Cs-0136347

47. Ft-0607866

48. 1,2,4-triazole Sodium Derivative, Technical Grade

49. 253t218

50. A825489

51. W-106312

52. Q27293703

53. Sodium 1,2-diaza-4-azanidacyclopenta-2,5-diene;1,2,4-triazole Sodium

2.4 Create Date

2005-09-16

3 Chemical and Physical Properties

Molecular Formula	C₂H₂N₃Na
Molecular Weight	91.05 g/mol
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	91.01464136 g/mol
Monoisotopic Mass	91.01464136 g/mol
Topological Polar Surface Area	26.8 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	32
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	2