5-Methylpyridazin-3(2H)-one - CAS 54709-94-3

Catalog:	BB028793
Product Name:	5-Methylpyridazin-3(2H)-one
CAS:	54709-94-3
Synonyms:	4-methyl-1H-pyridazin-6-one; 4-methyl-1H-pyridazin-6-one

Technical Data

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Computed Properties

IUPAC Name:	4-methyl-1H-pyridazin-6-one
Description:	5-Methylpyridazin-3(2H)-one (CAS# 54709-94-3) is a useful research chemical.
Molecular Weight:	110.11
Molecular Formula:	C5H6N2O
Canonical SMILES:	CC1=CC(=O)NN=C1
InChI:	InChI=1S/C5H6N2O/c1-4-2-5(8)7-6-3-4/h2-3H,1H3,(H,7,8)
InChI Key:	MMDFKVYPOQFQHP-UHFFFAOYSA-N
Density:	1.22 g/cm³
MDL:	MFCD09743644
LogP:	0.07830

Publication Number	Title	Priority Date
US-2019256504-A1	Cardiac sarcomere inhibitors	20180119
WO-2019144041-A1	Dihydrobenzofuran and inden analogs as cardiac sarcomere inhibitors	20180119
AU-2019208331-A1	Dihydrobenzofuran and inden analogs as cardiac sarcomere inhibitors	20180119
BR-112020014428-A2	compound, pharmaceutical composition, and, methods for the treatment of heart disease in an individual, for the treatment of a disease or condition that is associated with small left ventricular cavity and cavity obliteration, hyperdynamic contraction of the left ventricle, myocardial ischemia or cardiac fibrosis, for the treatment of a disease or condition selected from muscular dystrophies and glycogen storage diseases and for inhibition of the cardiac sarcomere	20180119
CN-111757875-A	Dihydrobenzofuran and indene analogs as inotropic agents	20180119

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Related Functional Groups

Pyridazines

[89179-63-5]
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[20074-67-3]
Perchloropyridazine
[438220-52-1]
N-(6-Chloropyridazin-3-yl)benzene-1,4-diamine
[88093-48-5]
2-(tert-Butyl)-4-chloro-5-hydroxypyridazin-3(2H)-one
[55271-49-3]
4,5-Dichloropyridazine
[34231-77-1]
Methyl pyridazine-4-carboxylate

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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:	169
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	110.048012819
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	110.048012819
Rotatable Bond Count:	0
Topological Polar Surface Area:	41.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.3