3(2H)-Pyridazinone - CAS 504-30-3

Catalog:	BB027052
Product Name:	3(2H)-Pyridazinone
CAS:	504-30-3
Synonyms:	1H-pyridazin-6-one

Technical Data

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Computed Properties

IUPAC Name:	1H-pyridazin-6-one
Description:	Pyridazin-3(2H)-one can be used for anti-inflammatory and analgesic drug discovery.
Molecular Weight:	96.09
Molecular Formula:	C4H4N2O
Canonical SMILES:	C1=CC(=O)NN=C1
InChI:	InChI=1S/C4H4N2O/c7-4-2-1-3-5-6-4/h1-3H,(H,6,7)
InChI Key:	AAILEWXSEQLMNI-UHFFFAOYSA-N
Boiling Point:	315.9 °C at 760 mmHg
Purity:	97.0 %
Density:	1.28 g/cm³
MDL:	MFCD00099605
LogP:	-0.23010

Publication Number	Title	Priority Date
WO-2021178780-A1	Indazoles and azaindazoles as lrrk2 inhibitors	20200306
WO-2021158707-A1	Methods and compounds for the treatment of genetic disease	20200203
WO-2021127643-A1	Fluoroalkyl-oxadiazoles and uses thereof	20191220
WO-2021123145-A1	Sigma-1 receptor ligands and uses thereof	20191219
WO-2021127275-A1	Gsk-3 modulator otic formulations	20191217

PMID	Publication Date	Title	Journal
31038950	20190523	Substituted Pyridazin-3(2 H)-ones as Highly Potent and Biased Formyl Peptide Receptor Agonists	Journal of medicinal chemistry
24526935	20131101	Pimobendan B from powder diffraction data	Acta crystallographica. Section E, Structure reports online
22621748	20121101	Ultrasound assisted copolymerization of acrylonitrile with N-amino phenyl maleimides and N-amino phenyl 2,3 dimethyl maleimides	Ultrasonics sonochemistry
22869161	20120806	N-substituted 5-chloro-6-phenylpyridazin-3(2H)-ones: synthesis, insecticidal activity against Plutella xylostella (L.) and SAR study	Molecules (Basel, Switzerland)
22553957	20120801	Combined pharmacophore and 3D-QSAR study on a series of Staphylococcus aureus Sortase A inhibitors	Chemical biology & drug design

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Related Functional Groups

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[933-76-6]
4,5-Dichloro-2-methyl-3(2H)-pyridazinone

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	137
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	96.032362755
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	96.032362755
Rotatable Bond Count:	0
Topological Polar Surface Area:	41.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.7