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893612-12-9 | 2-Pyrazinamine,5-bromo-3-(3-methyl-1-piperazinyl)-
CAS No: 893612-12-9 Catalog No: AG0086FG MDL No:MFCD08056174
Product Description
Catalog Number:
AG0086FG
Chemical Name:
2-Pyrazinamine,5-bromo-3-(3-methyl-1-piperazinyl)-
CAS Number:
893612-12-9
Molecular Formula:
C9H14BrN5
Molecular Weight:
272.1450
MDL Number:
MFCD08056174
IUPAC Name:
5-bromo-3-(3-methylpiperazin-1-yl)pyrazin-2-amine
InChI:
InChI=1S/C9H14BrN5/c1-6-5-15(3-2-12-6)9-8(11)13-4-7(10)14-9/h4,6,12H,2-3,5H2,1H3,(H2,11,13)
InChI Key:
IXVFIGMMPKAQFO-UHFFFAOYSA-N
SMILES:
CC1NCCN(C1)c1nc(Br)cnc1N
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.043g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
272.15g/mol
Monoisotopic Mass:
271.043g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
67.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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