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2D Structure
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

1 2D Structure

2D Structure

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