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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

CAS 41253-21-8
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 Weight 91.05 g/mol
Molecular Formula C2H2N3Na
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass91.01464136 g/mol
Monoisotopic Mass91.01464136 g/mol
Topological Polar Surface Area26.8 Ų
Heavy Atom Count6
Formal Charge0
Complexity32
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2

BUILDING BLOCK

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