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