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 |
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 |
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 |
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 |
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 |
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