6-Piperazinonicotinonitrile

C₁₀H₁₂N₄CAS 149554-29-0188.23 g/mol

Open in Covalent MOL file

Nitrile Secondary amine Tertiary 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 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 1

Hazards

Warning

H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled33.3% of notifiers
H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin66.7% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled66.7% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 3 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

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

Weigh it out

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

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

PubChem CAS Common Chemistry NIST WebBook