chempirical

Acetylpyrazine

C6H6N2OCAS 22047-25-2122.13 g/mol

Open in Covalent MOL file
ONN
Ketone

Properties

Molecular formula
C6H6N2O
Molar mass
122.13 g/mol
Exact mass
122.0480 Da
Melting point
76–78 °C
Boiling point
79–80 °C
logP
0.68Crippen estimate
Polar surface area
42.9 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Identifiers

CAS number
22047-25-2
SMILES
CC(=O)c1cnccn1
InChIKey
DBZAKQWXICEWNW-UHFFFAOYSA-N
InChI
InChI=1S/C6H6N2O/c1-5(9)6-4-7-2-3-8-6/h2-4H,1H3

Weigh it out

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

Names and synonyms

11 names
  • Ethanone, 1-(2-pyrazinyl)-
  • Ketone, methyl pyrazinyl
  • Ethanone, 1-pyrazinyl-
  • 1-(2-Pyrazinyl)ethanone
  • 2-Acetylpyrazine
  • Pyrazine methyl ketone
  • NSC 72374
  • 1-(Pyrazin-2-yl)ethanone
  • 1-(2-Pyrazinyl)-1-ethanone
  • 2-Acetyl-1,4-pyrazine
  • Methyl pyrazin-2-yl ketone

Work with Acetylpyrazine

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-Acetylpyridine1122-62-953 % similar 2-Pyrazinecarbonyl chloride19847-10-053 % similar Pyrazinoic acid98-97-553 % similar Methyl 2-pyrazinecarboxylate6164-79-053 % similar 2-Acetyl-4-methylpyridine59576-26-048 % similar 3-Acetylpyridine350-03-847 % similar 2-Acetyl-3-methylpyrazine23787-80-644 % similar Pyrazinamide98-96-444 % similar

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

Same formula

1-(Pyrimidin-5-yl)ethan-1-one10325-70-9 1-(Pyridazin-3-yl)ethan-1-one1122-63-0 Nicotinaldoxime1193-92-6 2-(Ethoxymethylene)propanedinitrile123-06-8 2-Pyridinecarboxamide1452-77-3 Isonicotinamide1453-82-3 4-Pyridinealdoxime696-54-8 Pyridine 2-aldoxime873-69-8

Elsewhere

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