5-but-2-ynoxy-6-ethyl-2-methyl-4-(2-methylphenyl)pyridazin-3-one

C18H20N2O2 — CID 58092166

IUPAC5-but-2-ynoxy-6-ethyl-2-methyl-4-(2-methylphenyl)pyridazin-3-one
SMILESCC#CCOc1c(CC)nn(C)c(=O)c1-c1ccccc1C
InChIInChI=1S/C18H20N2O2/c1-5-7-12-22-17-15(6-2)19-20(4)18(21)16(17)14-11-9-8-10-13(14)3/h8-11H,6,12H2,1-4H3
InChIKeyVNSZTWBTLVAVSW-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.72
Rot. Bonds4

About 5-but-2-ynoxy-6-ethyl-2-methyl-4-(2-methylphenyl)pyridazin-3-one

5-but-2-ynoxy-6-ethyl-2-methyl-4-(2-methylphenyl)pyridazin-3-one (PubChem CID 58092166) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 5-but-2-ynoxy-6-ethyl-2-methyl-4-(2-methylphenyl)pyridazin-3-one.

Molecular Properties

Compound Name5-but-2-ynoxy-6-ethyl-2-methyl-4-(2-methylphenyl)pyridazin-3-one
PubChem CID58092166
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name5-but-2-ynoxy-6-ethyl-2-methyl-4-(2-methylphenyl)pyridazin-3-one
SMILESCC#CCOc1c(CC)nn(C)c(=O)c1-c1ccccc1C
InChIInChI=1S/C18H20N2O2/c1-5-7-12-22-17-15(6-2)19-20(4)18(21)16(17)14-11-9-8-10-13(14)3/h8-11H,6,12H2,1-4H3
InChIKeyVNSZTWBTLVAVSW-UHFFFAOYSA-N
XLogP2.72
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 5-but-2-ynoxy-6-ethyl-2-methyl-4-(2-methylphenyl)pyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-but-2-ynoxy-2-methyl-4-(2-methylphenyl)-6-(2-methylpropyl)pyridazin-3-one
CID 58092147
5-but-2-ynoxy-2,6-diethyl-4-(2-methylphenyl)pyridazin-3-one;carbanide;ethane;yttrium
CID 159837620
5-but-2-ynoxy-2-ethyl-6-methyl-4-(2-methylphenyl)pyridazin-3-one;carbanide;ethane;yttrium
CID 158077731
5-ethoxy-2,6-dimethyl-4-(2-methylphenyl)pyridazin-3-one
CID 58092176
2,6-diethyl-5-methoxy-4-(2-methylphenyl)pyridazin-3-one
CID 58092178
5-but-3-yn-2-yloxy-2-methyl-4-(2-methylphenyl)-6-(2-methylpropyl)pyridazin-3-one
CID 58092180
4-ethyl-2-methylphthalazin-1-one
CID 58923354
5-but-3-yn-2-yloxy-2,6-diethyl-4-(2-methylphenyl)pyridazin-3-one;carbanide;ethane;yttrium
CID 159540317
2-ethyl-5-methoxy-6-methyl-4-(2-methylphenyl)pyridazin-3-one
CID 58092133
carbanide;ethane;6-ethyl-5-hydroxy-4-(2-methylphenyl)-2-propylpyridazin-3-one;yttrium
CID 159059892
6-[(3-fluorophenyl)methyl]-5-hydroxy-2-methyl-4-(2-methylphenyl)pyridazin-3-one
CID 59400748
carbanide;ethane;6-ethyl-5-hydroxy-2-(2-methoxyethyl)-4-(2-methylphenyl)pyridazin-3-one;yttrium
CID 160942254

Frequently Asked Questions

What is the IUPAC name of 5-but-2-ynoxy-6-ethyl-2-methyl-4-(2-methylphenyl)pyridazin-3-one?
The IUPAC name of 5-but-2-ynoxy-6-ethyl-2-methyl-4-(2-methylphenyl)pyridazin-3-one (CID 58092166) is 5-but-2-ynoxy-6-ethyl-2-methyl-4-(2-methylphenyl)pyridazin-3-one.
What is the SMILES notation for 5-but-2-ynoxy-6-ethyl-2-methyl-4-(2-methylphenyl)pyridazin-3-one?
The canonical SMILES for 5-but-2-ynoxy-6-ethyl-2-methyl-4-(2-methylphenyl)pyridazin-3-one is CC#CCOc1c(CC)nn(C)c(=O)c1-c1ccccc1C.
What is the InChIKey of 5-but-2-ynoxy-6-ethyl-2-methyl-4-(2-methylphenyl)pyridazin-3-one?
The InChIKey is VNSZTWBTLVAVSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-5-7-12-22-17-15(6-2)19-20(4)18(21)16(17)14-11-9-8-10-13(14)3/h8-11H,6,12H2,1-4H3.
What are the key properties of 5-but-2-ynoxy-6-ethyl-2-methyl-4-(2-methylphenyl)pyridazin-3-one?
5-but-2-ynoxy-6-ethyl-2-methyl-4-(2-methylphenyl)pyridazin-3-one has a molecular weight of 296.37 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-but-2-ynoxy-6-ethyl-2-methyl-4-(2-methylphenyl)pyridazin-3-one is sourced from PubChem (CID 58092166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).