2-Piperazinonicotinonitrile

C₁₀H₁₂N₄CAS 84951-44-0188.23 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

Danger

H302 Harmful if swallowed50% of notifiers
H312 Harmful in contact with skin50% of notifiers
H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage50% of notifiers
H319 Causes serious eye irritation50% of notifiers
H332 Harmful if inhaled50% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 2 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, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

84951-44-0

SMILES

C1CN(CCN1)C2=C(C=CC=N2)C#N

InChIKey

QSMNQUURWIAXAA-UHFFFAOYSA-N

InChI

InChI=1S/C10H12N4/c11-8-9-2-1-3-13-10(9)14-6-4-12-5-7-14/h1-3,12H,4-7H2

Weigh it out

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

Names and synonyms

1 names

2-(Piperazin-1-yl)pyridine-3-carbonitrile

Work with 2-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

1-(2-Cyanophenyl)piperazine111373-03-661 % similar 1-[3-(Trifluoromethyl)-2-pyridinyl]piperazine87394-63-654 % similar Pyridinylpiperazine34803-66-251 % similar 1-(2-Pyridyl)piperazine monohydrochloride129394-11-248 % similar Pyridine-2,3-dicarbonitrile17132-78-447 % similar Pyrimidinylpiperazine20980-22-747 % similar 4-(1-Piperazinyl)benzonitrile68104-63-246 % similar 2-Methylpyridine-3-carbonitrile1721-23-945 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

6-Piperazinonicotinonitrile149554-29-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook