2,3-Dicyanopyrazine

C₆H₂N₄CAS 13481-25-9130.11 g/mol

Open in Covalent MOL file

Nitrile

Properties

Molecular formula: C₆H₂N₄
Molar mass: 130.11 g/mol
Exact mass: 130.0279 Da
logP: 0.22Crippen estimate
Polar surface area: 73.4 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation97.5% of notifiers

Aggregated from 40 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

13481-25-9

SMILES

C1=CN=C(C(=N1)C#N)C#N

InChIKey

OTVZGAXESBAAQQ-UHFFFAOYSA-N

InChI

InChI=1S/C6H2N4/c7-3-5-6(4-8)10-2-1-9-5/h1-2H

Weigh it out

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

Work with 2,3-Dicyanopyrazine

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3-Aminopyrazine-2-carbonitrile25911-65-364 % similar 3-Chloropyrazine-2-carbonitrile55557-52-364 % similar Pyridine-2,3-dicarbonitrile17132-78-454 % similar 3-Bromopyridine-2-carbonitrile55758-02-652 % similar 1-Isoquinolinecarbonitrile1198-30-750 % similar 3-Methylpyridine-2-carbonitrile20970-75-650 % similar 3-Chloropyridine-2-carbonitrile38180-46-050 % similar 3-Amino-2-pyridinecarbonitrile42242-11-550 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook