4-Methylpyridazin-3(2H)-one - CAS 33471-40-8

Name: 4-Methylpyridazin-3(2H)-one
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB021731
Product Name:	4-Methylpyridazin-3(2H)-one
CAS:	33471-40-8
Synonyms:	5-methyl-1H-pyridazin-6-one; 5-methyl-1H-pyridazin-6-one

Technical Data

IUPAC Name:	5-methyl-1H-pyridazin-6-one
Description:	4-Methylpyridazin-3(2H)-one (CAS# 33471-40-8) is used as a building block for more complex compounds. It is also found within the structure of several pharmaceutical drugs. It can be used for the synthesis of a series of aminopyridazine derivatives of γ-aminobutyric acid acting as selective GABA-A antagonists.
Molecular Weight:	110.11
Molecular Formula:	C5H6N2O
Canonical SMILES:	CC1=CC=NNC1=O
InChI:	InChI=1S/C5H6N2O/c1-4-2-3-6-7-5(4)8/h2-3H,1H3,(H,7,8)
InChI Key:	HBPUWDXGIIXNTF-UHFFFAOYSA-N
Density:	1.22 g/cm³
MDL:	MFCD08460985
LogP:	0.49060

Publication Number	Title	Priority Date
WO-2021178420-A1	Compounds targeting rna-binding proteins or rna-modifying proteins	20200303
JP-2020537679-A	Process for producing herbicidal pyridadinone compounds	20171018
KR-101950198-B1	Method of reducing residual pesticide using ultraviolet ray-C	20170310
KR-20180103560-A	Method of reducing residual pesticide using ultraviolet ray-C	20170310
KR-20190070342-A	Molecules with insecticidal utility, and intermediates, compositions, and methods associated therewith	20161012

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
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.3