CAS 55321-99-8

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BUILDING BLOCK

2 Suppliers, 2 End Use APIs, 18 Related Intermediates

2 Suppliers
2 End Use APIs
18 Related Intermediates

Chemistry

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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

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 Formula	C₅H₅N₃O₂
Molecular Weight	139.11 g/mol
XLogP3	-0.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	139.038176411 g/mol
Monoisotopic Mass	139.038176411 g/mol
Topological Polar Surface Area	84.6 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	241
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