CAS 6969-71-7

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Also known as: 6969-71-7, [1,2,4]triazolo[4,3-a]pyridin-3(2h)-one, 2h-[1,2,4]triazolo[4,3-a]pyridin-3-one, 1,2,4-triazolo(4,3-a)pyridin-3(2h)-one, [1,2,4]triazolo[4,3-a]pyridin-3-ol, J5ewp6l1va

Molecular Formula

C₆H₅N₃O

Molecular Weight

135.12 g/mol

InChI Key

LJRXNXBFJXXRNQ-UHFFFAOYSA-N

FDA UNII

J5EWP6L1VA

1 2D Structure

CAS 6969-71-7

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2H-[1,2,4]triazolo[4,3-a]pyridin-3-one

2.1.2 InChI

InChI=1S/C6H5N3O/c10-6-8-7-5-3-1-2-4-9(5)6/h1-4H,(H,8,10)

2.1.3 InChI Key

LJRXNXBFJXXRNQ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC2=NNC(=O)N2C=C1

2.2 Other Identifiers

2.2.1 UNII

J5EWP6L1VA

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 6969-71-7

2. [1,2,4]triazolo[4,3-a]pyridin-3(2h)-one

3. 2h-[1,2,4]triazolo[4,3-a]pyridin-3-one

4. 1,2,4-triazolo(4,3-a)pyridin-3(2h)-one

5. [1,2,4]triazolo[4,3-a]pyridin-3-ol

6. J5ewp6l1va

7. 1,2,4-triazolo[4,3-a]pyridine-3(2h)-one

8. 2h,3h-[1,2,4]triazolo[4,3-a]pyridin-3-one

9. 3-hydroxytriazolo[4,3-a]pyridine

10. Mfcd00022632

11. Nsc-68462

12. 3-hydroxytriazolo(4,3-a)pyridine

13. S-triazolo[4,3-a]pyridin-3-ol

14. Nsc68462

15. Einecs 230-191-8

16. Nsc 68462

17. Unii-j5ewp6l1va

18. 1,2,4-triazolo-[4,3,a]pyridin-3(2h)-one

19. Ec 230-191-8

20. Mls006011497

21. Schembl103370

22. 1,2,4-triazolopyridin-3-one

23. Ljrxnxbfjxxrnq-uhfffaoysa-

24. Dtxsid70219980

25. Hms1755a19

26. Bcp03573

27. Zinc2654018

28. Akos000121574

29. Akos004910247

30. Ac-7639

31. Gf-0127

32. Triazolopyridinone [usp Impurity]

33. 124-triazolo[43-a]pyridin-3(2h)-one

34. Smr004703276

35. Sy036845

36. 1,4-triazolo[4,3-a]pyridin-3(2h)-one

37. Db-018728

38. 1,2,4-triazolo[4,3a]pyridin-3(2h)-one

39. 3-hydroxy-1,2,4-triazolo[4,3-a]pyridine

40. A9218

41. Am20061449

42. Cs-0046232

43. Ft-0606247

44. T1667

45. 2h-[1,2,4]triazolo[4,5-a]pyridin-3-one

46. 1,2,4-triazolo[4,3-a]pyridin-3(2h)-one,

47. 69t717

48. F14880

49. [1,2,4]triazolo[4,3-a]pyridin-3(2h);-one

50. [1,2,4]triazolo[4,3-a]pyridin-3-(2h)-one

51. Sr-01000945133

52. Sr-01000945133-1

53. W-104602

54. 1,2,4-triazolo[4,3-a]pyridin-3(2h)-one, 97%

55. 2,4-dihydro-[1,2,4]triazolo[4,5-a]pyridin-3-one

56. Z56987654

57. F2113-0215

58. F3095-0220

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₆H₅N₃O
Molecular Weight	135.12 g/mol
XLogP3	0
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	135.043261791 g/mol
Monoisotopic Mass	135.043261791 g/mol
Topological Polar Surface Area	44.7 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	264
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