5-Bromo-2-pyrazinamine;2-Amino-5-bromopyrazine

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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

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 Formula	C₄H₄BrN₃
Molecular Weight	174.00 g/mol
XLogP3	0.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	172.95886 g/mol
Monoisotopic Mass	172.95886 g/mol
Topological Polar Surface Area	51.8 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	77.7
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

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