Pyrazinecarbonitrile

C₅H₃N₃CAS 19847-12-2105.10 g/mol

Open in Covalent MOL file

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 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed95.9% of notifiers
H312 Harmful in contact with skin95.9% of notifiers
H315 Causes skin irritation98% of notifiers
H319 Causes serious eye irritation98% of notifiers
H332 Harmful if inhaled95.9% of notifiers
H335 May cause respiratory irritation95.9% of notifiers

Aggregated from 49 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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-Chloro-5-cyanopyrazine36070-75-450 % similar 2,3-Dicyanopyrazine13481-25-946 % 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

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Pyrimidinecarbonitrile14080-23-0 5-Cyanopyrimidine40805-79-6 Pyridazine-3-carbonitrile53896-49-4 4-Pyridazinecarbonitrile68776-62-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook