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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

CAS 5424-01-1
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 Weight 139.11 g/mol
Molecular Formula C5H5N3O2
XLogP3-0.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass139.038176411 g/mol
Monoisotopic Mass139.038176411 g/mol
Topological Polar Surface Area89.1 Ų
Heavy Atom Count10
Formal Charge0
Complexity139
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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