chempirical

4-Pyridazinecarbonitrile

C5H3N3CAS 68776-62-5105.10 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
79–80 °C
logP
0.35Crippen estimate
Polar surface area
49.6 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
0

Identifiers

CAS number
68776-62-5
SMILES
N#Cc1ccnnc1
InChIKey
QXOXHGUPISQLPW-UHFFFAOYSA-N
InChI
InChI=1S/C5H3N3/c6-3-5-1-2-7-8-4-5/h1-2,4H

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Names and synonyms

1 names
  • 4-Cyanopyridazine

Work with 4-Pyridazinecarbonitrile

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

4-Cyanopyridine100-48-154 % similar Nicotinonitrile100-54-952 % similar [2,2′-Bipyridine]-5,5′-dicarbonitrile1802-29-548 % similar 1,4-Dicyanobenzene623-26-745 % similar 2,4-Pyridinedicarbonitrile29181-50-845 % similar 6-Chloronicotinonitrile33252-28-743 % similar 2-Bromo-4-cyanopyridine10386-27-342 % similar 2-Chloro-4-cyanopyridine33252-30-142 % similar

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

Same formula

2-Pyrimidinecarbonitrile14080-23-0 Pyrazinecarbonitrile19847-12-2

Elsewhere

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