Home Nitriles 3-Amino-6-phenylpyrazine-2-carbonitrile

3-Amino-6-phenylpyrazine-2-carbonitrile

CAS No.:
50627-25-3
Catalog Number:
AG006XBQ
Molecular Formula:
C11H8N4
Molecular Weight:
196.2080
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Product Description
Catalog Number:
AG006XBQ
Chemical Name:
3-Amino-6-phenylpyrazine-2-carbonitrile
CAS Number:
50627-25-3
Molecular Formula:
C11H8N4
Molecular Weight:
196.2080
MDL Number:
MFCD00204075
IUPAC Name:
3-amino-6-phenylpyrazine-2-carbonitrile
InChI:
InChI=1S/C11H8N4/c12-6-9-11(13)14-7-10(15-9)8-4-2-1-3-5-8/h1-5,7H,(H2,13,14)
InChI Key:
RQDOXXBRLVPOOD-UHFFFAOYSA-N
SMILES:
N#Cc1nc(cnc1N)c1ccccc1
Properties
Complexity:
251  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.075g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
196.213g/mol
Monoisotopic Mass:
196.075g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties