CAS 5424-01-1

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Also known as: 5424-01-1, 3-amino-2-pyrazinecarboxylic acid, Pyrazinecarboxylic acid, 3-amino-, 2-amino-3-pyrazinecarboxylic acid, Mfcd00006141, 3-aminopyrazinecarboxylic acid

Molecular Formula

C₅H₅N₃O₂

Molecular Weight

139.11 g/mol

InChI Key

ZAGZIOYVEIDDJA-UHFFFAOYSA-N

FDA UNII

X78B5D12FN

1 2D Structure

CAS 5424-01-1

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

3-aminopyrazine-2-carboxylic acid

2.1.2 InChI

InChI=1S/C5H5N3O2/c6-4-3(5(9)10)7-1-2-8-4/h1-2H,(H2,6,8)(H,9,10)

2.1.3 InChI Key

ZAGZIOYVEIDDJA-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CN=C(C(=N1)C(=O)O)N

2.2 Other Identifiers

2.2.1 UNII

X78B5D12FN

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 5424-01-1

2. 3-amino-2-pyrazinecarboxylic Acid

3. Pyrazinecarboxylic Acid, 3-amino-

4. 2-amino-3-pyrazinecarboxylic Acid

5. Mfcd00006141

6. 3-aminopyrazinecarboxylic Acid

7. Nsc13148

8. 2-amino-3-carboxypyrazine

9. X78b5d12fn

10. Nsc 13148

11. Nsc-13148

12. Nsc225114

13. Nsc-225114

14. 2-aminopyrazine-3-carboxylic Acid

15. Nsc135056

16. 3-aminopiperazine-2-carboxylic Acid

17. Deacetylhypnosin

18. 3-aminopyrazinoic Acid

19. 59698-27-0

20. 2-pyrazinecarboxylic Acid, 3-amino-

21. 3-amino-2-carboxypyrazine

22. Unii-x78b5d12fn

23. Oprea1_107188

24. Schembl65106

25. 3-aminopyrazine Carboxylic Acid

26. 3-aminopyrazine-2-carboxylicacid

27. Dtxsid20202589

28. Hms1786j07

29. Zinc967253

30. 3-amino-2-pyrazinoic Acid

31. Pyrazinoic Acid, 3-amino-

32. 3-amino-pyrazine-2-carboxylic Acid

33. Act01758

34. Str04136

35. Einecs 226-558-7

36. Stk525001

37. Akos000121386

38. Ab00606

39. Ac-1268

40. Cs-w020071

41. Ms-0291

42. Nsc 225114

43. Sy005247

44. 3-amino-2-pyrazinecarboxylic Acid, >=99%

45. Ai3-61137

46. Db-022275

47. A0848

48. Am20070435

49. Ft-0614898

50. Ft-0615066

51. Ec 226-558-7

52. 424a011

53. Ab-323/25048525

54. W-105651

55. Z56818526

56. F8880-4479

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₅H₅N₃O₂
Molecular Weight	139.11 g/mol
XLogP3	-0.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	139.038176411 g/mol
Monoisotopic Mass	139.038176411 g/mol
Topological Polar Surface Area	89.1 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	139
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