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Pyrazine

CAT: 0013-GTR19250817Size: 1 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19250817Size:1 g
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Description
Pyrazine
CAS Number
290-37-9
Field of Research
Metabolism Research
Smiles
C1=CN=CC=N1
Molecular Formula
C4H4N2
Molecular Weight
80.08
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Pyrazine

Pyrazine is a diazine that is benzene in which the carbon atoms at positions 1 and 4 have been replaced by nitrogen atoms. It has a role as a Daphnia magna metabolite. It is a member of pyrazines and a diazine.

CAS Number290-37-9
PubChem CID9261
IUPAC Namepyrazine
Molecular FormulaC4H4N2
Molecular Weight80.09
XLogP-0.2
Topological Polar Surface Area25.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count6
Formal Charge0
Complexity26
SMILES
C1=CN=CC=N1
InChI
InChI=1S/C4H4N2/c1-2-6-4-3-5-1/h1-4H
InChIKey
KYQCOXFCLRTKLS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pyrazine
CAS: 290-37-9
CID: 9261
Formula: C4H4N2
MW: 80.09
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight80.09
XLogP3-0.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass80.037448136
Monoisotopic Mass80.037448136
Topological Polar Surface Area25.8 Ų
Heavy Atom Count6
Formal Charge0
Complexity26.5
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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