ethyl 6-oxo-1-(propoxymethyl)pyridazine-4-carboxylate

C11H16N2O4 — CID 143576909

IUPACethyl 6-oxo-1-(propoxymethyl)pyridazine-4-carboxylate
SMILESCCCOCn1ncc(C(=O)OCC)cc1=O
InChIInChI=1S/C11H16N2O4/c1-3-5-16-8-13-10(14)6-9(7-12-13)11(15)17-4-2/h6-7H,3-5,8H2,1-2H3
InChIKeyXXZBQZUADQHWBR-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.80
Rot. Bonds6

About ethyl 6-oxo-1-(propoxymethyl)pyridazine-4-carboxylate

ethyl 6-oxo-1-(propoxymethyl)pyridazine-4-carboxylate (PubChem CID 143576909) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is ethyl 6-oxo-1-(propoxymethyl)pyridazine-4-carboxylate.

Molecular Properties

Compound Nameethyl 6-oxo-1-(propoxymethyl)pyridazine-4-carboxylate
PubChem CID143576909
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Nameethyl 6-oxo-1-(propoxymethyl)pyridazine-4-carboxylate
SMILESCCCOCn1ncc(C(=O)OCC)cc1=O
InChIInChI=1S/C11H16N2O4/c1-3-5-16-8-13-10(14)6-9(7-12-13)11(15)17-4-2/h6-7H,3-5,8H2,1-2H3
InChIKeyXXZBQZUADQHWBR-UHFFFAOYSA-N
XLogP0.80
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 ethyl 6-oxo-1-(propoxymethyl)pyridazine-4-carboxylate?
The IUPAC name of ethyl 6-oxo-1-(propoxymethyl)pyridazine-4-carboxylate (CID 143576909) is ethyl 6-oxo-1-(propoxymethyl)pyridazine-4-carboxylate.
What is the SMILES notation for ethyl 6-oxo-1-(propoxymethyl)pyridazine-4-carboxylate?
The canonical SMILES for ethyl 6-oxo-1-(propoxymethyl)pyridazine-4-carboxylate is CCCOCn1ncc(C(=O)OCC)cc1=O.
What is the InChIKey of ethyl 6-oxo-1-(propoxymethyl)pyridazine-4-carboxylate?
The InChIKey is XXZBQZUADQHWBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-3-5-16-8-13-10(14)6-9(7-12-13)11(15)17-4-2/h6-7H,3-5,8H2,1-2H3.
What are the key properties of ethyl 6-oxo-1-(propoxymethyl)pyridazine-4-carboxylate?
ethyl 6-oxo-1-(propoxymethyl)pyridazine-4-carboxylate has a molecular weight of 240.26 g/mol, XLogP of 0.80, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-oxo-1-(propoxymethyl)pyridazine-4-carboxylate is sourced from PubChem (CID 143576909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).