chempirical

6-Piperazinonicotinonitrile

C10H12N4CAS 149554-29-0188.23 g/mol

Open in Covalent MOL file
NHNNN
NitrileSecondary amineTertiary amine

Properties

Molecular formula
C10H12N4
Molar mass
188.23 g/mol
Exact mass
188.1062 Da
logP
0.36Crippen estimate
Polar surface area
52.0 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
149554-29-0
SMILES
C1CN(CCN1)C2=NC=C(C=C2)C#N
InChIKey
ZYNPMKJQFWNFMI-UHFFFAOYSA-N
InChI
InChI=1S/C10H12N4/c11-7-9-1-2-10(13-8-9)14-5-3-12-4-6-14/h1-2,8,12H,3-6H2

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Names and synonyms

1 names
  • 6-(Piperazin-1-yl)pyridine-3-carbonitrile

Work with 6-Piperazinonicotinonitrile

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-(1-Piperazinyl)benzonitrile68104-63-260 % similar Pyridinylpiperazine34803-66-253 % similar 1-(5-Trifluoromethyl-pyridin-2-yl)-piperazine132834-58-353 % similar 4-(5-Nitropyridin-2-yl)piperazine82205-58-149 % similar 1-(2-Pyridyl)piperazine monohydrochloride129394-11-249 % similar 1-(5-Nitro-2-pyridyl)-1,4-diazepane287114-27-648 % similar [2,2′-Bipyridine]-5,5′-dicarbonitrile1802-29-547 % similar 1-(2-Cyanophenyl)piperazine111373-03-646 % similar

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

Same formula

2-Piperazinonicotinonitrile84951-44-0

Elsewhere

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