5-but-3-yn-2-yloxy-2-methyl-4-(2-methylphenyl)-6-(2-methylpropyl)pyridazin-3-one

C20H24N2O2 — CID 58092180

IUPAC5-but-3-yn-2-yloxy-2-methyl-4-(2-methylphenyl)-6-(2-methylpropyl)pyridazin-3-one
SMILESC#CC(C)Oc1c(CC(C)C)nn(C)c(=O)c1-c1ccccc1C
InChIInChI=1S/C20H24N2O2/c1-7-15(5)24-19-17(12-13(2)3)21-22(6)20(23)18(19)16-11-9-8-10-14(16)4/h1,8-11,13,15H,12H2,2-6H3
InChIKeyDFGGHCGPAKPPBJ-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.35
Rot. Bonds5

About 5-but-3-yn-2-yloxy-2-methyl-4-(2-methylphenyl)-6-(2-methylpropyl)pyridazin-3-one

5-but-3-yn-2-yloxy-2-methyl-4-(2-methylphenyl)-6-(2-methylpropyl)pyridazin-3-one (PubChem CID 58092180) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 5-but-3-yn-2-yloxy-2-methyl-4-(2-methylphenyl)-6-(2-methylpropyl)pyridazin-3-one.

Molecular Properties

Compound Name5-but-3-yn-2-yloxy-2-methyl-4-(2-methylphenyl)-6-(2-methylpropyl)pyridazin-3-one
PubChem CID58092180
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name5-but-3-yn-2-yloxy-2-methyl-4-(2-methylphenyl)-6-(2-methylpropyl)pyridazin-3-one
SMILESC#CC(C)Oc1c(CC(C)C)nn(C)c(=O)c1-c1ccccc1C
InChIInChI=1S/C20H24N2O2/c1-7-15(5)24-19-17(12-13(2)3)21-22(6)20(23)18(19)16-11-9-8-10-14(16)4/h1,8-11,13,15H,12H2,2-6H3
InChIKeyDFGGHCGPAKPPBJ-UHFFFAOYSA-N
XLogP3.35
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-but-3-yn-2-yloxy-2-ethyl-4-(2-methylphenyl)-6-(2-methylpropyl)pyridazin-3-one
CID 58092164
5-but-2-ynoxy-2-methyl-4-(2-methylphenyl)-6-(2-methylpropyl)pyridazin-3-one
CID 58092147
5-but-3-yn-2-yloxy-2,6-diethyl-4-(2-methylphenyl)pyridazin-3-one;carbanide;ethane;yttrium
CID 159540317
5-but-2-ynoxy-6-ethyl-2-methyl-4-(2-methylphenyl)pyridazin-3-one
CID 58092166
5-ethoxy-2,6-dimethyl-4-(2-methylphenyl)pyridazin-3-one
CID 58092176
5-hydroxy-4-(2-methylphenyl)-6-(2-methylpropyl)-2-(2-phenylethyl)pyridazin-3-one
CID 59400751
2-(cyclopropylmethyl)-5-hydroxy-4-(2-methylphenyl)-6-(2-methylpropyl)pyridazin-3-one
CID 59400754
2,6-diethyl-5-methoxy-4-(2-methylphenyl)pyridazin-3-one
CID 58092178
3-methyl-1-(2-methylpropyl)-6-[[2-(trifluoromethyl)phenyl]methyl]pyrrolo[3,4-d]pyridazin-4-one
CID 23503235
6-[(3-fluorophenyl)methyl]-5-hydroxy-2-methyl-4-(2-methylphenyl)pyridazin-3-one
CID 59400748
2-ethyl-5-methoxy-6-methyl-4-(2-methylphenyl)pyridazin-3-one
CID 58092133
4-ethyl-2-methylphthalazin-1-one
CID 58923354

Frequently Asked Questions

What is the IUPAC name of 5-but-3-yn-2-yloxy-2-methyl-4-(2-methylphenyl)-6-(2-methylpropyl)pyridazin-3-one?
The IUPAC name of 5-but-3-yn-2-yloxy-2-methyl-4-(2-methylphenyl)-6-(2-methylpropyl)pyridazin-3-one (CID 58092180) is 5-but-3-yn-2-yloxy-2-methyl-4-(2-methylphenyl)-6-(2-methylpropyl)pyridazin-3-one.
What is the SMILES notation for 5-but-3-yn-2-yloxy-2-methyl-4-(2-methylphenyl)-6-(2-methylpropyl)pyridazin-3-one?
The canonical SMILES for 5-but-3-yn-2-yloxy-2-methyl-4-(2-methylphenyl)-6-(2-methylpropyl)pyridazin-3-one is C#CC(C)Oc1c(CC(C)C)nn(C)c(=O)c1-c1ccccc1C.
What is the InChIKey of 5-but-3-yn-2-yloxy-2-methyl-4-(2-methylphenyl)-6-(2-methylpropyl)pyridazin-3-one?
The InChIKey is DFGGHCGPAKPPBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-7-15(5)24-19-17(12-13(2)3)21-22(6)20(23)18(19)16-11-9-8-10-14(16)4/h1,8-11,13,15H,12H2,2-6H3.
What are the key properties of 5-but-3-yn-2-yloxy-2-methyl-4-(2-methylphenyl)-6-(2-methylpropyl)pyridazin-3-one?
5-but-3-yn-2-yloxy-2-methyl-4-(2-methylphenyl)-6-(2-methylpropyl)pyridazin-3-one has a molecular weight of 324.42 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-but-3-yn-2-yloxy-2-methyl-4-(2-methylphenyl)-6-(2-methylpropyl)pyridazin-3-one is sourced from PubChem (CID 58092180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).