ethyl 6-(3-methoxy-6-oxopyridazin-1-yl)hexanoate

C13H20N2O4 — CID 105061537

IUPACethyl 6-(3-methoxy-6-oxopyridazin-1-yl)hexanoate
SMILESCCOC(=O)CCCCCn1nc(OC)ccc1=O
InChIInChI=1S/C13H20N2O4/c1-3-19-13(17)7-5-4-6-10-15-12(16)9-8-11(14-15)18-2/h8-9H,3-7,10H2,1-2H3
InChIKeyPZKGXAIZALQAKR-UHFFFAOYSA-N
MW268.31 g/mol
LogP1.38
Rot. Bonds8

About ethyl 6-(3-methoxy-6-oxopyridazin-1-yl)hexanoate

ethyl 6-(3-methoxy-6-oxopyridazin-1-yl)hexanoate (PubChem CID 105061537) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is ethyl 6-(3-methoxy-6-oxopyridazin-1-yl)hexanoate.

Molecular Properties

Compound Nameethyl 6-(3-methoxy-6-oxopyridazin-1-yl)hexanoate
PubChem CID105061537
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Nameethyl 6-(3-methoxy-6-oxopyridazin-1-yl)hexanoate
SMILESCCOC(=O)CCCCCn1nc(OC)ccc1=O
InChIInChI=1S/C13H20N2O4/c1-3-19-13(17)7-5-4-6-10-15-12(16)9-8-11(14-15)18-2/h8-9H,3-7,10H2,1-2H3
InChIKeyPZKGXAIZALQAKR-UHFFFAOYSA-N
XLogP1.38
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze ethyl 6-(3-methoxy-6-oxopyridazin-1-yl)hexanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(3-methoxy-6-oxopyridazin-1-yl)hexanoate?
The IUPAC name of ethyl 6-(3-methoxy-6-oxopyridazin-1-yl)hexanoate (CID 105061537) is ethyl 6-(3-methoxy-6-oxopyridazin-1-yl)hexanoate.
What is the SMILES notation for ethyl 6-(3-methoxy-6-oxopyridazin-1-yl)hexanoate?
The canonical SMILES for ethyl 6-(3-methoxy-6-oxopyridazin-1-yl)hexanoate is CCOC(=O)CCCCCn1nc(OC)ccc1=O.
What is the InChIKey of ethyl 6-(3-methoxy-6-oxopyridazin-1-yl)hexanoate?
The InChIKey is PZKGXAIZALQAKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-3-19-13(17)7-5-4-6-10-15-12(16)9-8-11(14-15)18-2/h8-9H,3-7,10H2,1-2H3.
What are the key properties of ethyl 6-(3-methoxy-6-oxopyridazin-1-yl)hexanoate?
ethyl 6-(3-methoxy-6-oxopyridazin-1-yl)hexanoate has a molecular weight of 268.31 g/mol, XLogP of 1.38, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(3-methoxy-6-oxopyridazin-1-yl)hexanoate is sourced from PubChem (CID 105061537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).