3-Chloro-6-piperazinopyridazine - CAS 56392-83-7

Catalog:	BB029348
Product Name:	3-Chloro-6-piperazinopyridazine
CAS:	56392-83-7
Synonyms:	3-chloro-6-(1-piperazinyl)pyridazine; 3-chloro-6-piperazin-1-ylpyridazine

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	3-chloro-6-piperazin-1-ylpyridazine
Description:	3-Chloro-6-piperazinopyridazine (CAS# 56392-83-7) is a useful research chemical.
Molecular Weight:	198.65
Molecular Formula:	C8H11ClN4
Canonical SMILES:	C1CN(CCN1)C2=NN=C(C=C2)Cl
InChI:	InChI=1S/C8H11ClN4/c9-7-1-2-8(12-11-7)13-5-3-10-4-6-13/h1-2,10H,3-6H2
InChI Key:	DXPPQFXYIZTQCV-UHFFFAOYSA-N
Boiling Point:	430.8 °C at 760 mmHg
Density:	1.272 g/cm³
MDL:	MFCD05858981
LogP:	0.93340

Publication Number	Title	Priority Date
WO-2020198526-A2	Small molecule modulators of pank	20190327
EP-3237406-B1	5-[(piperazin-1-yl)-3-oxo-propyl]-imidazolidine-2,4-dione derivatives as adamts inhibitors for the treatment of osteoarthritis	20141222
EP-3575294-A1	5-[(piperazin-1-yl)-3-oxo-propyl]-imidazolidine-2,4-dione derivatives as adamts inhibitors for the treatment of osteoarthritis	20141222
EP-2555773-A1	Combinations of medicaments, containing pde4 inhibitors and ep4 receptor antagonists	20100408
JP-2013529184-A	Pharmaceutical combination containing a PDE4 inhibitor and an EP4 receptor antagonist	20100408

PMID	Publication Date	Title	Journal
12190322	20020829	6-Chloropyridazin-3-yl derivatives active as nicotinic agents: synthesis, binding, and modeling studies	Journal of medicinal chemistry
11689081	20011108	Structure-affinity relationships of a unique nicotinic ligand: N(1)-dimethyl-N(4)-phenylpiperazinium iodide (DMPP)	Journal of medicinal chemistry

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Related Functional Groups

Pyridazines

[20074-67-3]
Perchloropyridazine
[1008517-75-6]
5-(Benzyloxy)-2-(2-tetrahydropyranyl)pyridazin-3(2H)-one
[881464-17-1]
4-({5-Chloro-6-oxo-1-[3-(trifluoromethyl)phenyl]-1,6-dihydropyridazin-4-yl}oxy)-3-ethoxybenzaldehyde
[110310-26-4]
4,5-Dichloro-2-(2-methylphenyl)pyridazin-3(2H)-one
[933-76-6]
4,5-Dichloro-2-methyl-3(2H)-pyridazinone
[65202-58-6]
3-Bromo-6-methylpyridazine

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	160
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	198.0672241
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	198.0672241
Rotatable Bond Count:	1
Topological Polar Surface Area:	41 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.6