4-(3-methoxy-6-oxopyridazin-1-yl)butanoic acid

C9H12N2O4 — CID 105061533

IUPAC4-(3-methoxy-6-oxopyridazin-1-yl)butanoic acid
SMILESCOc1ccc(=O)n(CCCC(=O)O)n1
InChIInChI=1S/C9H12N2O4/c1-15-7-4-5-8(12)11(10-7)6-2-3-9(13)14/h4-5H,2-3,6H2,1H3,(H,13,14)
InChIKeyMNNUAEWGRNWZIH-UHFFFAOYSA-N
MW212.21 g/mol
LogP0.12
Rot. Bonds5

About 4-(3-methoxy-6-oxopyridazin-1-yl)butanoic acid

4-(3-methoxy-6-oxopyridazin-1-yl)butanoic acid (PubChem CID 105061533) has the molecular formula C9H12N2O4 and a molecular weight of 212.21 g/mol. Its IUPAC name is 4-(3-methoxy-6-oxopyridazin-1-yl)butanoic acid.

Molecular Properties

Compound Name4-(3-methoxy-6-oxopyridazin-1-yl)butanoic acid
PubChem CID105061533
Molecular FormulaC9H12N2O4
Molecular Weight212.21 g/mol
Exact Mass212.08
IUPAC Name4-(3-methoxy-6-oxopyridazin-1-yl)butanoic acid
SMILESCOc1ccc(=O)n(CCCC(=O)O)n1
InChIInChI=1S/C9H12N2O4/c1-15-7-4-5-8(12)11(10-7)6-2-3-9(13)14/h4-5H,2-3,6H2,1H3,(H,13,14)
InChIKeyMNNUAEWGRNWZIH-UHFFFAOYSA-N
XLogP0.12
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxy-6-oxopyridazin-1-yl)butanoic acid?
The IUPAC name of 4-(3-methoxy-6-oxopyridazin-1-yl)butanoic acid (CID 105061533) is 4-(3-methoxy-6-oxopyridazin-1-yl)butanoic acid.
What is the SMILES notation for 4-(3-methoxy-6-oxopyridazin-1-yl)butanoic acid?
The canonical SMILES for 4-(3-methoxy-6-oxopyridazin-1-yl)butanoic acid is COc1ccc(=O)n(CCCC(=O)O)n1.
What is the InChIKey of 4-(3-methoxy-6-oxopyridazin-1-yl)butanoic acid?
The InChIKey is MNNUAEWGRNWZIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4/c1-15-7-4-5-8(12)11(10-7)6-2-3-9(13)14/h4-5H,2-3,6H2,1H3,(H,13,14).
What are the key properties of 4-(3-methoxy-6-oxopyridazin-1-yl)butanoic acid?
4-(3-methoxy-6-oxopyridazin-1-yl)butanoic acid has a molecular weight of 212.21 g/mol, XLogP of 0.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxy-6-oxopyridazin-1-yl)butanoic acid is sourced from PubChem (CID 105061533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).