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Also known as: 55321-99-8, T-1105, 2-oxo-1h-pyrazine-3-carboxamide, 3-oxo-3,4-dihydropyrazine-2-carboxamide, Pyrazinecarboxamide, 3,4-dihydro-3-oxo-, 3-hydroxy-2-pyrazinecarboxamide
Molecular Formula
C5H5N3O2
Molecular Weight
139.11  g/mol
InChI Key
SZPBAPFUXAADQV-UHFFFAOYSA-N
FDA UNII
5R3A375F7A

CAS 55321-99-8
1 2D Structure

CAS 55321-99-8

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-oxo-1H-pyrazine-3-carboxamide
2.1.2 InChI
InChI=1S/C5H5N3O2/c6-4(9)3-5(10)8-2-1-7-3/h1-2H,(H2,6,9)(H,8,10)
2.1.3 InChI Key
SZPBAPFUXAADQV-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CN=C(C(=O)N1)C(=O)N
2.2 Other Identifiers
2.2.1 UNII
5R3A375F7A
2.3 Synonyms
2.3.1 MeSH Synonyms

1. T 1105

2. T-1105

3. T1105 Cpd

2.3.2 Depositor-Supplied Synonyms

1. 55321-99-8

2. T-1105

3. 2-oxo-1h-pyrazine-3-carboxamide

4. 3-oxo-3,4-dihydropyrazine-2-carboxamide

5. Pyrazinecarboxamide, 3,4-dihydro-3-oxo-

6. 3-hydroxy-2-pyrazinecarboxamide

7. Pyrazine-2-carboxamide, 3-hydroxy-

8. Nsc163503

9. 5r3a375f7a

10. Mfcd00233977

11. Nsc-163503

12. 3,4-dihydro-3-oxo-2-pyrazinecarboxamide

13. 2-pyrazinecarboxamide, 3,4-dihydro-3-oxo-

14. 3-hydroxypyrazine-2-carboxamine

15. Unii-5r3a375f7a

16. Schembl1338425

17. Zinc8657

18. Chembl4167765

19. 3-hydroxy-pyrazine-2-carboxamide

20. Dtxsid10203888

21. 2-pyrazinecarboxamide, 3-hydroxy-

22. 3-hydroxy-2-pyrazinecarboxamide #

23. Bcp03021

24. Akos005166970

25. Akos015950901

26. Cs-w016480

27. Hy-w015764

28. Nsc 163503

29. Ac-25579

30. Sy017450

31. Db-000194

32. Am20070364

33. Ft-0686914

34. H1485

35. T 1105

36. 321h998

37. A846786

38. Q-103306

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 139.11 g/mol
Molecular Formula C5H5N3O2
XLogP3-0.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass139.038176411 g/mol
Monoisotopic Mass139.038176411 g/mol
Topological Polar Surface Area84.6 Ų
Heavy Atom Count10
Formal Charge0
Complexity241
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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