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

Hazards

Warning
Irritant (GHS07)

Aggregated from 5 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
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

Weigh it out

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

Names and synonyms

2 names
  • 4-Cyanopyridazine
  • Pyridazine-4-carbonitrile

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 2-Bromo-5-cyanopyridine139585-70-943 % similar 5-Cyano-2-methylpyridine3222-48-843 % similar 6-Chloronicotinonitrile33252-28-743 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Pyrimidinecarbonitrile14080-23-0 Pyrazinecarbonitrile19847-12-2 5-Cyanopyrimidine40805-79-6 Pyridazine-3-carbonitrile53896-49-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook