3-(2-ethoxyethoxy)-6-(3-methylphenoxy)pyridazine

C15H18N2O3 — CID 12040107

IUPAC3-(2-ethoxyethoxy)-6-(3-methylphenoxy)pyridazine
SMILESCCOCCOc1ccc(Oc2cccc(C)c2)nn1
InChIInChI=1S/C15H18N2O3/c1-3-18-9-10-19-14-7-8-15(17-16-14)20-13-6-4-5-12(2)11-13/h4-8,11H,3,9-10H2,1-2H3
InChIKeyYXXQRDDWMHIXNW-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.99
Rot. Bonds7

About 3-(2-ethoxyethoxy)-6-(3-methylphenoxy)pyridazine

3-(2-ethoxyethoxy)-6-(3-methylphenoxy)pyridazine (PubChem CID 12040107) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 3-(2-ethoxyethoxy)-6-(3-methylphenoxy)pyridazine.

Molecular Properties

Compound Name3-(2-ethoxyethoxy)-6-(3-methylphenoxy)pyridazine
PubChem CID12040107
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name3-(2-ethoxyethoxy)-6-(3-methylphenoxy)pyridazine
SMILESCCOCCOc1ccc(Oc2cccc(C)c2)nn1
InChIInChI=1S/C15H18N2O3/c1-3-18-9-10-19-14-7-8-15(17-16-14)20-13-6-4-5-12(2)11-13/h4-8,11H,3,9-10H2,1-2H3
InChIKeyYXXQRDDWMHIXNW-UHFFFAOYSA-N
XLogP2.99
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.99
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

3-(chloromethyl)-6-(3-methylphenoxy)pyridazine
CID 61267321
[6-(2-ethoxyethoxy)pyridazin-3-yl]methanamine
CID 62291203
1,3-bis[2-(2-ethoxyethoxy)ethoxy]benzene
CID 118036057
[6-(2-ethoxyethoxy)pyridazin-3-yl]methanol
CID 61255275
N-[[6-(3-methylphenoxy)pyridazin-3-yl]methyl]cyclopropanamine
CID 62297853
1-ethoxy-3-[3-(3-methylphenoxy)propoxy]benzene
CID 2284499
1-(2-ethoxyethoxy)-2,4-dimethylbenzene
CID 60644510
1-methyl-3-[4-(3-methylphenoxy)butoxy]benzene
CID 2237989
N-ethyl-2-[2-(3-methylphenoxy)ethoxy]ethanamine
CID 82353109
1-[2-(2-ethoxyethoxy)-5-methylphenyl]ethanol
CID 43505298
2-(3-methylphenoxy)pyrimidine
CID 20603792
ethane;1-ethoxy-3-methylbenzene;methanol
CID 142994688

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyethoxy)-6-(3-methylphenoxy)pyridazine?
The IUPAC name of 3-(2-ethoxyethoxy)-6-(3-methylphenoxy)pyridazine (CID 12040107) is 3-(2-ethoxyethoxy)-6-(3-methylphenoxy)pyridazine.
What is the SMILES notation for 3-(2-ethoxyethoxy)-6-(3-methylphenoxy)pyridazine?
The canonical SMILES for 3-(2-ethoxyethoxy)-6-(3-methylphenoxy)pyridazine is CCOCCOc1ccc(Oc2cccc(C)c2)nn1.
What is the InChIKey of 3-(2-ethoxyethoxy)-6-(3-methylphenoxy)pyridazine?
The InChIKey is YXXQRDDWMHIXNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-3-18-9-10-19-14-7-8-15(17-16-14)20-13-6-4-5-12(2)11-13/h4-8,11H,3,9-10H2,1-2H3.
What are the key properties of 3-(2-ethoxyethoxy)-6-(3-methylphenoxy)pyridazine?
3-(2-ethoxyethoxy)-6-(3-methylphenoxy)pyridazine has a molecular weight of 274.32 g/mol, XLogP of 2.99, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyethoxy)-6-(3-methylphenoxy)pyridazine is sourced from PubChem (CID 12040107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).