2-(4-ethoxyphenyl)-7-methyl-6-propoxyimidazo[1,2-b]pyridazine

C18H21N3O2 — CID 11347459

IUPAC2-(4-ethoxyphenyl)-7-methyl-6-propoxyimidazo[1,2-b]pyridazine
SMILESCCCOc1nn2cc(-c3ccc(OCC)cc3)nc2cc1C
InChIInChI=1S/C18H21N3O2/c1-4-10-23-18-13(3)11-17-19-16(12-21(17)20-18)14-6-8-15(9-7-14)22-5-2/h6-9,11-12H,4-5,10H2,1-3H3
InChIKeyZZYVSWXPPZHOOA-UHFFFAOYSA-N
MW311.39 g/mol
LogP3.89
Rot. Bonds6

About 2-(4-ethoxyphenyl)-7-methyl-6-propoxyimidazo[1,2-b]pyridazine

2-(4-ethoxyphenyl)-7-methyl-6-propoxyimidazo[1,2-b]pyridazine (PubChem CID 11347459) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-7-methyl-6-propoxyimidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-7-methyl-6-propoxyimidazo[1,2-b]pyridazine
PubChem CID11347459
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name2-(4-ethoxyphenyl)-7-methyl-6-propoxyimidazo[1,2-b]pyridazine
SMILESCCCOc1nn2cc(-c3ccc(OCC)cc3)nc2cc1C
InChIInChI=1S/C18H21N3O2/c1-4-10-23-18-13(3)11-17-19-16(12-21(17)20-18)14-6-8-15(9-7-14)22-5-2/h6-9,11-12H,4-5,10H2,1-3H3
InChIKeyZZYVSWXPPZHOOA-UHFFFAOYSA-N
XLogP3.89
TPSA48.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-7-methyl-6-propoxyimidazo[1,2-b]pyridazine?
The IUPAC name of 2-(4-ethoxyphenyl)-7-methyl-6-propoxyimidazo[1,2-b]pyridazine (CID 11347459) is 2-(4-ethoxyphenyl)-7-methyl-6-propoxyimidazo[1,2-b]pyridazine.
What is the SMILES notation for 2-(4-ethoxyphenyl)-7-methyl-6-propoxyimidazo[1,2-b]pyridazine?
The canonical SMILES for 2-(4-ethoxyphenyl)-7-methyl-6-propoxyimidazo[1,2-b]pyridazine is CCCOc1nn2cc(-c3ccc(OCC)cc3)nc2cc1C.
What is the InChIKey of 2-(4-ethoxyphenyl)-7-methyl-6-propoxyimidazo[1,2-b]pyridazine?
The InChIKey is ZZYVSWXPPZHOOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-4-10-23-18-13(3)11-17-19-16(12-21(17)20-18)14-6-8-15(9-7-14)22-5-2/h6-9,11-12H,4-5,10H2,1-3H3.
What are the key properties of 2-(4-ethoxyphenyl)-7-methyl-6-propoxyimidazo[1,2-b]pyridazine?
2-(4-ethoxyphenyl)-7-methyl-6-propoxyimidazo[1,2-b]pyridazine has a molecular weight of 311.39 g/mol, XLogP of 3.89, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-7-methyl-6-propoxyimidazo[1,2-b]pyridazine is sourced from PubChem (CID 11347459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).