chempirical

Methylpyrazine

C5H6N2CAS 109-08-094.12 g/mol

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Properties

Molecular formula
C5H6N2
Molar mass
94.12 g/mol
Exact mass
94.0531 Da
Density
1.03 g/mL (at 20 °C)
Melting point
−29 °C
Boiling point
137 °C
logP
0.79Crippen estimate
Polar surface area
25.8 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Identifiers

CAS number
109-08-0
SMILES
Cc1cnccn1
InChIKey
CAWHJQAVHZEVTJ-UHFFFAOYSA-N
InChI
InChI=1S/C5H6N2/c1-5-4-6-2-3-7-5/h2-4H,1H3

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

7 names
  • Pyrazine, 2-methyl-
  • Pyrazine, methyl-
  • 2-Methylpyrazine
  • 2-Methyl-1,4-diazine
  • NSC 30412
  • NSC 49138
  • Monomethylpyrazine

Work with Methylpyrazine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,5-Dimethylpyrazine123-32-053 % similar 2,6-Dimethylpyrazine108-50-948 % similar 2-Ethylpyrazine13925-00-342 % similar 2-(Methylthio)pyrazine21948-70-942 % similar Isopropylpyrazine29460-90-042 % similar 2-Methoxypyrazine3149-28-842 % similar tert-Butylpyrazine32741-11-042 % similar 2-Methylpyridine109-06-842 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

1-Vinylimidazole1072-63-5 4-Methylpyridazine1120-88-3 3-Methylpyridazine1632-76-4 5-Methylpyrimidine2036-41-1 4-Methylpyrimidine3438-46-8 3-Aminopyridine462-08-8 4-Aminopyridine504-24-5 2-Aminopyridine504-29-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook