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Also known as: 59489-71-3, 5-bromopyrazin-2-amine, 5-bromo-2-pyrazinamine, 5-bromo-pyrazin-2-ylamine, Pyrazinamine, 5-bromo-, 2-bromo-5-aminopyrazine
Molecular Formula
C4H4BrN3
Molecular Weight
174.00  g/mol
InChI Key
KRRTXVSBTPCDOS-UHFFFAOYSA-N

CAS 59489-71-3
1 2D Structure

CAS 59489-71-3

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
5-bromopyrazin-2-amine
2.1.2 InChI
InChI=1S/C4H4BrN3/c5-3-1-8-4(6)2-7-3/h1-2H,(H2,6,8)
2.1.3 InChI Key
KRRTXVSBTPCDOS-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=C(N=CC(=N1)Br)N
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 59489-71-3

2. 5-bromopyrazin-2-amine

3. 5-bromo-2-pyrazinamine

4. 5-bromo-pyrazin-2-ylamine

5. Pyrazinamine, 5-bromo-

6. 2-bromo-5-aminopyrazine

7. 5-bromopyrazin-2-ylamine

8. 5-bromo-2-aminopyrazine

9. Mfcd00235015

10. 2-amino-5-bromo-pyrazine

11. 5-bromo-2-pyrazinamine;2-amino-5-bromopyrazine

12. 5-amino-2-bromopyrazine

13. 2-amino-5 Bromopyrazine

14. 5-bromopyrazine-2-amine

15. 5-bromo-2-pyrazineamine

16. 2-bromo-5-amino-pyrazine

17. 5-bromanylpyrazin-2-amine

18. 5-bromopyrazin-2-yl-amine

19. 5-bromo-2-pyrazinamine #

20. Schembl40289

21. Chembl4555899

22. 2-amino-5-bromopyrazine, 97%

23. Dtxsid00344794

24. Act01747

25. Bcp23370

26. Zinc1420726

27. Stl451640

28. Akos005068277

29. Ac-1726

30. Bcp9000091

31. Cs-w009264

32. Fs-2178

33. Pb26019

34. Bp-11361

35. Sy002807

36. Db-011347

37. Am20070372

38. Ft-0611151

39. En300-88705

40. 489a713

41. A832340

42. Ac-907/25005447

43. Q-103315

2.3 Create Date
2005-03-27
3 Chemical and Physical Properties
Molecular Weight 174.00 g/mol
Molecular Formula C4H4BrN3
XLogP30.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass172.95886 g/mol
Monoisotopic Mass172.95886 g/mol
Topological Polar Surface Area51.8 Ų
Heavy Atom Count8
Formal Charge0
Complexity77.7
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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