Home Nitriles 5-oxo-4,5-dihydropyrazine-2-carbonitrile

5-oxo-4,5-dihydropyrazine-2-carbonitrile

CAS No.:
134510-05-7
Catalog Number:
AG01DUBX
Molecular Formula:
C5H3N3O
Molecular Weight:
121.0968
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Product Description
Catalog Number:
AG01DUBX
Chemical Name:
5-oxo-4,5-dihydropyrazine-2-carbonitrile
CAS Number:
134510-05-7
Molecular Formula:
C5H3N3O
Molecular Weight:
121.0968
MDL Number:
MFCD12032621
IUPAC Name:
6-oxo-1H-pyrazine-3-carbonitrile
InChI:
InChI=1S/C5H3N3O/c6-1-4-2-8-5(9)3-7-4/h2-3H,(H,8,9)
InChI Key:
FBBKFQQRDQALLM-UHFFFAOYSA-N
SMILES:
O=c1cnc(c[nH]1)C#N
Properties
Complexity:
242  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
121.028g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
121.099g/mol
Monoisotopic Mass:
121.028g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
65.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8  
Properties