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Pyrazine

CAT: 0804-HY-W013040-01Size: 50 gDry Ice: NoHazardous: No
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CAT#:0804-HY-W013040-01Size:50 g
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Description
Pyrazine is an aromatic azaheterocycle containing two nitrogen atoms, known for its electron-deficient nature. Pyrazine is a key pharmacophore in various drugs, including anti-inflammatory, anticancer, and antimicrobial agents, with significant applications in pharmaceuticals, flavor, fragrance, and food industries[1].
CAS Number
290-37-9
Product Name Alternative
1,4-Diazine
UNSPSC
12352005
Hazard Statement
H228
Target
Endogenous Metabolite
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Field of Research
Cancer; Infection; Inflammation/Immunology; Cardiovascular Disease
Assay Protocol
https://www.medchemexpress.com/pyrazine.html
Purity
99.97
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
C1=NC=CN=C1
Molecular Formula
C4H4N2
Molecular Weight
80.09
Precautions
H228
References & Citations
[1]Pyrazine.
Shipping Conditions
Room Temperature
Storage Conditions
Store at room temperature 3 years
Scientific Category
Reference compound1
Clinical Information
No Development Reported

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Pyrazine is a diazine that is benzene in which the carbon atoms at positions 1 and 4 have been replaced by nitrogen atoms.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...
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