5-(3-methoxy-6-oxopyridazin-1-yl)pentanoic acid

C10H14N2O4 — CID 105061560

IUPAC5-(3-methoxy-6-oxopyridazin-1-yl)pentanoic acid
SMILESCOc1ccc(=O)n(CCCCC(=O)O)n1
InChIInChI=1S/C10H14N2O4/c1-16-8-5-6-9(13)12(11-8)7-3-2-4-10(14)15/h5-6H,2-4,7H2,1H3,(H,14,15)
InChIKeyHKKYZADLDZMQGF-UHFFFAOYSA-N
MW226.23 g/mol
LogP0.51
Rot. Bonds6

About 5-(3-methoxy-6-oxopyridazin-1-yl)pentanoic acid

5-(3-methoxy-6-oxopyridazin-1-yl)pentanoic acid (PubChem CID 105061560) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is 5-(3-methoxy-6-oxopyridazin-1-yl)pentanoic acid.

Molecular Properties

Compound Name5-(3-methoxy-6-oxopyridazin-1-yl)pentanoic acid
PubChem CID105061560
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Name5-(3-methoxy-6-oxopyridazin-1-yl)pentanoic acid
SMILESCOc1ccc(=O)n(CCCCC(=O)O)n1
InChIInChI=1S/C10H14N2O4/c1-16-8-5-6-9(13)12(11-8)7-3-2-4-10(14)15/h5-6H,2-4,7H2,1H3,(H,14,15)
InChIKeyHKKYZADLDZMQGF-UHFFFAOYSA-N
XLogP0.51
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 50.51
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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Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxy-6-oxopyridazin-1-yl)pentanoic acid?
The IUPAC name of 5-(3-methoxy-6-oxopyridazin-1-yl)pentanoic acid (CID 105061560) is 5-(3-methoxy-6-oxopyridazin-1-yl)pentanoic acid.
What is the SMILES notation for 5-(3-methoxy-6-oxopyridazin-1-yl)pentanoic acid?
The canonical SMILES for 5-(3-methoxy-6-oxopyridazin-1-yl)pentanoic acid is COc1ccc(=O)n(CCCCC(=O)O)n1.
What is the InChIKey of 5-(3-methoxy-6-oxopyridazin-1-yl)pentanoic acid?
The InChIKey is HKKYZADLDZMQGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-16-8-5-6-9(13)12(11-8)7-3-2-4-10(14)15/h5-6H,2-4,7H2,1H3,(H,14,15).
What are the key properties of 5-(3-methoxy-6-oxopyridazin-1-yl)pentanoic acid?
5-(3-methoxy-6-oxopyridazin-1-yl)pentanoic acid has a molecular weight of 226.23 g/mol, XLogP of 0.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxy-6-oxopyridazin-1-yl)pentanoic acid is sourced from PubChem (CID 105061560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).