1-(2-butoxyethyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid

C11H18N2O4 — CID 54956244

IUPAC1-(2-butoxyethyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid
SMILESCCCCOCCN1N=C(C(=O)O)CCC1=O
InChIInChI=1S/C11H18N2O4/c1-2-3-7-17-8-6-13-10(14)5-4-9(12-13)11(15)16/h2-8H2,1H3,(H,15,16)
InChIKeyIFXIBTQRPNTNJK-UHFFFAOYSA-N
MW242.27 g/mol
LogP0.87
Rot. Bonds7

About 1-(2-butoxyethyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid

1-(2-butoxyethyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid (PubChem CID 54956244) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is 1-(2-butoxyethyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-butoxyethyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid
PubChem CID54956244
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Name1-(2-butoxyethyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid
SMILESCCCCOCCN1N=C(C(=O)O)CCC1=O
InChIInChI=1S/C11H18N2O4/c1-2-3-7-17-8-6-13-10(14)5-4-9(12-13)11(15)16/h2-8H2,1H3,(H,15,16)
InChIKeyIFXIBTQRPNTNJK-UHFFFAOYSA-N
XLogP0.87
TPSA79.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 1-(2-butoxyethyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid?
The IUPAC name of 1-(2-butoxyethyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid (CID 54956244) is 1-(2-butoxyethyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid.
What is the SMILES notation for 1-(2-butoxyethyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid?
The canonical SMILES for 1-(2-butoxyethyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid is CCCCOCCN1N=C(C(=O)O)CCC1=O.
What is the InChIKey of 1-(2-butoxyethyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid?
The InChIKey is IFXIBTQRPNTNJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4/c1-2-3-7-17-8-6-13-10(14)5-4-9(12-13)11(15)16/h2-8H2,1H3,(H,15,16).
What are the key properties of 1-(2-butoxyethyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid?
1-(2-butoxyethyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid has a molecular weight of 242.27 g/mol, XLogP of 0.87, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-butoxyethyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid is sourced from PubChem (CID 54956244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).