chempirical

Pyrazinecarbonitrile

C5H3N3CAS 19847-12-2105.10 g/mol

Open in Covalent MOL file
NNN
Nitrile

Properties

Molecular formula
C5H3N3
Molar mass
105.10 g/mol
Exact mass
105.0327 Da
Melting point
20 °C
Boiling point
87 °C
logP
0.35Crippen estimate
Polar surface area
49.6 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
0

Identifiers

CAS number
19847-12-2
SMILES
N#Cc1cnccn1
InChIKey
PMSVVUSIPKHUMT-UHFFFAOYSA-N
InChI
InChI=1S/C5H3N3/c6-3-5-4-7-1-2-8-5/h1-2,4H

Weigh it out

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

Names and synonyms

8 names
  • 2-Pyrazinecarbonitrile
  • Pyrazinonitrile
  • 2-Cyanopyrazine
  • Pyrazinenitrile
  • Cyanopyrazine
  • Pyrazinyl cyanide
  • NSC 166137
  • NSC 72371

Work with Pyrazinecarbonitrile

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-Cyanopyridine100-70-950 % similar 2,4-Pyridinedicarbonitrile29181-50-845 % similar 6-Chloro-2-pyrazinecarbonitrile6863-74-743 % similar 4-Methyl-2-pyridinecarbonitrile1620-76-442 % similar 4-Chloro-2-cyanopyridine19235-89-342 % similar 4-Bromo-2-pyridinecarbonitrile62150-45-242 % similar Nicotinonitrile100-54-941 % similar 5-Methyl-2-pyridinecarbonitrile1620-77-539 % similar

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

Same formula

2-Pyrimidinecarbonitrile14080-23-0 4-Pyridazinecarbonitrile68776-62-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook