2,6-diethyl-5-methoxy-4-(2-methylphenyl)pyridazin-3-one

C16H20N2O2 — CID 58092178

IUPAC2,6-diethyl-5-methoxy-4-(2-methylphenyl)pyridazin-3-one
SMILESCCc1nn(CC)c(=O)c(-c2ccccc2C)c1OC
InChIInChI=1S/C16H20N2O2/c1-5-13-15(20-4)14(16(19)18(6-2)17-13)12-10-8-7-9-11(12)3/h7-10H,5-6H2,1-4H3
InChIKeyVAROXYMKSGPRLF-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.81
Rot. Bonds4

About 2,6-diethyl-5-methoxy-4-(2-methylphenyl)pyridazin-3-one

2,6-diethyl-5-methoxy-4-(2-methylphenyl)pyridazin-3-one (PubChem CID 58092178) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2,6-diethyl-5-methoxy-4-(2-methylphenyl)pyridazin-3-one.

Molecular Properties

Compound Name2,6-diethyl-5-methoxy-4-(2-methylphenyl)pyridazin-3-one
PubChem CID58092178
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name2,6-diethyl-5-methoxy-4-(2-methylphenyl)pyridazin-3-one
SMILESCCc1nn(CC)c(=O)c(-c2ccccc2C)c1OC
InChIInChI=1S/C16H20N2O2/c1-5-13-15(20-4)14(16(19)18(6-2)17-13)12-10-8-7-9-11(12)3/h7-10H,5-6H2,1-4H3
InChIKeyVAROXYMKSGPRLF-UHFFFAOYSA-N
XLogP2.81
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-5-methoxy-6-methyl-4-(2-methylphenyl)pyridazin-3-one
CID 58092133
5-but-3-yn-2-yloxy-2,6-diethyl-4-(2-methylphenyl)pyridazin-3-one;carbanide;ethane;yttrium
CID 159540317
5-but-2-ynoxy-2,6-diethyl-4-(2-methylphenyl)pyridazin-3-one;carbanide;ethane;yttrium
CID 159837620
5-but-3-yn-2-yloxy-2-ethyl-4-(2-methylphenyl)-6-(2-methylpropyl)pyridazin-3-one
CID 58092164
carbanide;ethane;6-ethyl-5-hydroxy-2-(2-methoxyethyl)-4-(2-methylphenyl)pyridazin-3-one;yttrium
CID 160942254
5-but-2-ynoxy-2-ethyl-6-methyl-4-(2-methylphenyl)pyridazin-3-one;carbanide;ethane;yttrium
CID 158077731
5-but-2-ynoxy-6-ethyl-2-methyl-4-(2-methylphenyl)pyridazin-3-one
CID 58092166
carbanide;ethane;6-ethyl-5-hydroxy-4-(2-methylphenyl)-2-propylpyridazin-3-one;yttrium
CID 159059892
6-[2-(4-chlorophenyl)ethyl]-2-ethyl-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one
CID 59400732
carbanide;2-(2,2-difluoroethyl)-6-ethyl-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one;ethane;yttrium
CID 162070584
carbanide;ethane;2-ethyl-6-[(2-fluorophenyl)methyl]-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one;yttrium
CID 161471027
2-ethyl-6-[(3-fluorophenyl)methyl]-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one
CID 59400764

Frequently Asked Questions

What is the IUPAC name of 2,6-diethyl-5-methoxy-4-(2-methylphenyl)pyridazin-3-one?
The IUPAC name of 2,6-diethyl-5-methoxy-4-(2-methylphenyl)pyridazin-3-one (CID 58092178) is 2,6-diethyl-5-methoxy-4-(2-methylphenyl)pyridazin-3-one.
What is the SMILES notation for 2,6-diethyl-5-methoxy-4-(2-methylphenyl)pyridazin-3-one?
The canonical SMILES for 2,6-diethyl-5-methoxy-4-(2-methylphenyl)pyridazin-3-one is CCc1nn(CC)c(=O)c(-c2ccccc2C)c1OC.
What is the InChIKey of 2,6-diethyl-5-methoxy-4-(2-methylphenyl)pyridazin-3-one?
The InChIKey is VAROXYMKSGPRLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-5-13-15(20-4)14(16(19)18(6-2)17-13)12-10-8-7-9-11(12)3/h7-10H,5-6H2,1-4H3.
What are the key properties of 2,6-diethyl-5-methoxy-4-(2-methylphenyl)pyridazin-3-one?
2,6-diethyl-5-methoxy-4-(2-methylphenyl)pyridazin-3-one has a molecular weight of 272.35 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diethyl-5-methoxy-4-(2-methylphenyl)pyridazin-3-one is sourced from PubChem (CID 58092178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).