2-[2-(2-chloroethoxy)ethyl]-5-[ethyl(methyl)amino]pyridazin-3-one

C11H18ClN3O2 — CID 114394342

IUPAC2-[2-(2-chloroethoxy)ethyl]-5-[ethyl(methyl)amino]pyridazin-3-one
SMILESCCN(C)c1cnn(CCOCCCl)c(=O)c1
InChIInChI=1S/C11H18ClN3O2/c1-3-14(2)10-8-11(16)15(13-9-10)5-7-17-6-4-12/h8-9H,3-7H2,1-2H3
InChIKeyXZRLMWSJTZCVAJ-UHFFFAOYSA-N
MW259.74 g/mol
LogP0.95
Rot. Bonds7

About 2-[2-(2-chloroethoxy)ethyl]-5-[ethyl(methyl)amino]pyridazin-3-one

2-[2-(2-chloroethoxy)ethyl]-5-[ethyl(methyl)amino]pyridazin-3-one (PubChem CID 114394342) has the molecular formula C11H18ClN3O2 and a molecular weight of 259.74 g/mol. Its IUPAC name is 2-[2-(2-chloroethoxy)ethyl]-5-[ethyl(methyl)amino]pyridazin-3-one.

Molecular Properties

Compound Name2-[2-(2-chloroethoxy)ethyl]-5-[ethyl(methyl)amino]pyridazin-3-one
PubChem CID114394342
Molecular FormulaC11H18ClN3O2
Molecular Weight259.74 g/mol
Exact Mass259.11
IUPAC Name2-[2-(2-chloroethoxy)ethyl]-5-[ethyl(methyl)amino]pyridazin-3-one
SMILESCCN(C)c1cnn(CCOCCCl)c(=O)c1
InChIInChI=1S/C11H18ClN3O2/c1-3-14(2)10-8-11(16)15(13-9-10)5-7-17-6-4-12/h8-9H,3-7H2,1-2H3
InChIKeyXZRLMWSJTZCVAJ-UHFFFAOYSA-N
XLogP0.95
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.74
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[2-(2-chloroethoxy)ethyl]-5-[ethyl(methyl)amino]pyridazin-3-one 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 2-[2-(2-chloroethoxy)ethyl]-5-[ethyl(methyl)amino]pyridazin-3-one?
The IUPAC name of 2-[2-(2-chloroethoxy)ethyl]-5-[ethyl(methyl)amino]pyridazin-3-one (CID 114394342) is 2-[2-(2-chloroethoxy)ethyl]-5-[ethyl(methyl)amino]pyridazin-3-one.
What is the SMILES notation for 2-[2-(2-chloroethoxy)ethyl]-5-[ethyl(methyl)amino]pyridazin-3-one?
The canonical SMILES for 2-[2-(2-chloroethoxy)ethyl]-5-[ethyl(methyl)amino]pyridazin-3-one is CCN(C)c1cnn(CCOCCCl)c(=O)c1.
What is the InChIKey of 2-[2-(2-chloroethoxy)ethyl]-5-[ethyl(methyl)amino]pyridazin-3-one?
The InChIKey is XZRLMWSJTZCVAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3O2/c1-3-14(2)10-8-11(16)15(13-9-10)5-7-17-6-4-12/h8-9H,3-7H2,1-2H3.
What are the key properties of 2-[2-(2-chloroethoxy)ethyl]-5-[ethyl(methyl)amino]pyridazin-3-one?
2-[2-(2-chloroethoxy)ethyl]-5-[ethyl(methyl)amino]pyridazin-3-one has a molecular weight of 259.74 g/mol, XLogP of 0.95, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chloroethoxy)ethyl]-5-[ethyl(methyl)amino]pyridazin-3-one is sourced from PubChem (CID 114394342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).