3-chloro-6-[2-(3-methoxypropoxy)ethoxymethyl]pyridazine

C11H17ClN2O3 — CID 103177400

IUPAC3-chloro-6-[2-(3-methoxypropoxy)ethoxymethyl]pyridazine
SMILESCOCCCOCCOCc1ccc(Cl)nn1
InChIInChI=1S/C11H17ClN2O3/c1-15-5-2-6-16-7-8-17-9-10-3-4-11(12)14-13-10/h3-4H,2,5-9H2,1H3
InChIKeyKGWWDMKNTMRTJH-UHFFFAOYSA-N
MW260.72 g/mol
LogP1.70
Rot. Bonds9

About 3-chloro-6-[2-(3-methoxypropoxy)ethoxymethyl]pyridazine

3-chloro-6-[2-(3-methoxypropoxy)ethoxymethyl]pyridazine (PubChem CID 103177400) has the molecular formula C11H17ClN2O3 and a molecular weight of 260.72 g/mol. Its IUPAC name is 3-chloro-6-[2-(3-methoxypropoxy)ethoxymethyl]pyridazine.

Molecular Properties

Compound Name3-chloro-6-[2-(3-methoxypropoxy)ethoxymethyl]pyridazine
PubChem CID103177400
Molecular FormulaC11H17ClN2O3
Molecular Weight260.72 g/mol
Exact Mass260.09
IUPAC Name3-chloro-6-[2-(3-methoxypropoxy)ethoxymethyl]pyridazine
SMILESCOCCCOCCOCc1ccc(Cl)nn1
InChIInChI=1S/C11H17ClN2O3/c1-15-5-2-6-16-7-8-17-9-10-3-4-11(12)14-13-10/h3-4H,2,5-9H2,1H3
InChIKeyKGWWDMKNTMRTJH-UHFFFAOYSA-N
XLogP1.70
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.72
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-5-[2-(3-methoxypropoxy)ethoxymethyl]pyrazine
CID 103177429
2,6-dichloro-3-[2-(3-methoxypropoxy)ethoxymethyl]pyridine
CID 106994670
3-[2-(3-methoxypropoxy)ethoxymethyl]-1,2-oxazole
CID 134579597
3-chloro-6-[3-[(3S)-piperidin-3-yl]propoxymethyl]pyridazine
CID 97164075
5-[2-[(6-chloropyridazin-3-yl)methoxy]ethyl]-4-methyl-1,3-thiazole
CID 104514129
[6-[3-(2-methoxyethoxy)propoxymethyl]-2-pyridinyl]methanamine
CID 106908742
[6-[3-(2-methoxyethoxy)propoxy]pyridazin-3-yl]methanamine
CID 103405953
2-chloro-6-[2-(3-methoxypropoxy)ethoxy]pyridine
CID 103177517
3,6-dichloro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]pyridine
CID 104561220
[2-[2-(3-methoxypropoxy)ethoxymethyl]phenyl]methanamine
CID 103177032
2,6-dichloro-3-[2-(2-methoxyethoxy)ethoxymethyl]pyridine
CID 106994651
1-methoxy-3-[3-(3-methoxypropoxy)propoxy]propane
CID 6432627

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[2-(3-methoxypropoxy)ethoxymethyl]pyridazine?
The IUPAC name of 3-chloro-6-[2-(3-methoxypropoxy)ethoxymethyl]pyridazine (CID 103177400) is 3-chloro-6-[2-(3-methoxypropoxy)ethoxymethyl]pyridazine.
What is the SMILES notation for 3-chloro-6-[2-(3-methoxypropoxy)ethoxymethyl]pyridazine?
The canonical SMILES for 3-chloro-6-[2-(3-methoxypropoxy)ethoxymethyl]pyridazine is COCCCOCCOCc1ccc(Cl)nn1.
What is the InChIKey of 3-chloro-6-[2-(3-methoxypropoxy)ethoxymethyl]pyridazine?
The InChIKey is KGWWDMKNTMRTJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O3/c1-15-5-2-6-16-7-8-17-9-10-3-4-11(12)14-13-10/h3-4H,2,5-9H2,1H3.
What are the key properties of 3-chloro-6-[2-(3-methoxypropoxy)ethoxymethyl]pyridazine?
3-chloro-6-[2-(3-methoxypropoxy)ethoxymethyl]pyridazine has a molecular weight of 260.72 g/mol, XLogP of 1.70, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[2-(3-methoxypropoxy)ethoxymethyl]pyridazine is sourced from PubChem (CID 103177400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).