6-(3-methoxy-6-oxopyridazin-1-yl)hexanoic acid

C11H16N2O4 — CID 105061554

IUPAC6-(3-methoxy-6-oxopyridazin-1-yl)hexanoic acid
SMILESCOc1ccc(=O)n(CCCCCC(=O)O)n1
InChIInChI=1S/C11H16N2O4/c1-17-9-6-7-10(14)13(12-9)8-4-2-3-5-11(15)16/h6-7H,2-5,8H2,1H3,(H,15,16)
InChIKeyLHRGLBMARDAQMK-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.90
Rot. Bonds7

About 6-(3-methoxy-6-oxopyridazin-1-yl)hexanoic acid

6-(3-methoxy-6-oxopyridazin-1-yl)hexanoic acid (PubChem CID 105061554) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is 6-(3-methoxy-6-oxopyridazin-1-yl)hexanoic acid.

Molecular Properties

Compound Name6-(3-methoxy-6-oxopyridazin-1-yl)hexanoic acid
PubChem CID105061554
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name6-(3-methoxy-6-oxopyridazin-1-yl)hexanoic acid
SMILESCOc1ccc(=O)n(CCCCCC(=O)O)n1
InChIInChI=1S/C11H16N2O4/c1-17-9-6-7-10(14)13(12-9)8-4-2-3-5-11(15)16/h6-7H,2-5,8H2,1H3,(H,15,16)
InChIKeyLHRGLBMARDAQMK-UHFFFAOYSA-N
XLogP0.90
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-aminobutyl)-6-methoxypyridazin-3-one
CID 105061500
ethyl 3-(3-methoxy-6-oxopyridazin-1-yl)propanoate
CID 105061550
6-methoxy-2-[4-(propylamino)butyl]pyridazin-3-one
CID 105062199
(E)-4-(3-methoxy-6-oxopyridazin-1-yl)but-2-enoic acid
CID 105061529
6-methoxy-2-(3-oxo-3-piperazin-1-ylpropyl)pyridazin-3-one
CID 105061828
2-(3-methoxy-6-oxopyridazin-1-yl)-N,N-dimethylacetamide
CID 132587202
N-(2-aminophenyl)-3-(3-methoxy-6-oxopyridazin-1-yl)propanamide
CID 105061460
3-[1-(2-methoxyethyl)-6-oxopyridazin-3-yl]propanoic acid
CID 82442528
6-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]hexanoic acid
CID 43170045
2-(2,3-dihydroxypropyl)-6-methoxypyridazin-3-one
CID 105061939
6-methoxy-2-[2-(4-methoxyphenyl)-2-oxoethyl]pyridazin-3-one
CID 105061881
2-[2-(1-cyclopropylethylamino)ethyl]-6-methoxypyridazin-3-one
CID 105062157

Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxy-6-oxopyridazin-1-yl)hexanoic acid?
The IUPAC name of 6-(3-methoxy-6-oxopyridazin-1-yl)hexanoic acid (CID 105061554) is 6-(3-methoxy-6-oxopyridazin-1-yl)hexanoic acid.
What is the SMILES notation for 6-(3-methoxy-6-oxopyridazin-1-yl)hexanoic acid?
The canonical SMILES for 6-(3-methoxy-6-oxopyridazin-1-yl)hexanoic acid is COc1ccc(=O)n(CCCCCC(=O)O)n1.
What is the InChIKey of 6-(3-methoxy-6-oxopyridazin-1-yl)hexanoic acid?
The InChIKey is LHRGLBMARDAQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-17-9-6-7-10(14)13(12-9)8-4-2-3-5-11(15)16/h6-7H,2-5,8H2,1H3,(H,15,16).
What are the key properties of 6-(3-methoxy-6-oxopyridazin-1-yl)hexanoic acid?
6-(3-methoxy-6-oxopyridazin-1-yl)hexanoic acid has a molecular weight of 240.26 g/mol, XLogP of 0.90, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxy-6-oxopyridazin-1-yl)hexanoic acid is sourced from PubChem (CID 105061554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).