2-(4-ethoxyphenyl)-6-propylsulfanylimidazo[1,2-b]pyridazine

C17H19N3OS — CID 11358907

IUPAC2-(4-ethoxyphenyl)-6-propylsulfanylimidazo[1,2-b]pyridazine
SMILESCCCSc1ccc2nc(-c3ccc(OCC)cc3)cn2n1
InChIInChI=1S/C17H19N3OS/c1-3-11-22-17-10-9-16-18-15(12-20(16)19-17)13-5-7-14(8-6-13)21-4-2/h5-10,12H,3-4,11H2,1-2H3
InChIKeyAXEKFGOMKANTMC-UHFFFAOYSA-N
MW313.43 g/mol
LogP4.30
Rot. Bonds6

About 2-(4-ethoxyphenyl)-6-propylsulfanylimidazo[1,2-b]pyridazine

2-(4-ethoxyphenyl)-6-propylsulfanylimidazo[1,2-b]pyridazine (PubChem CID 11358907) has the molecular formula C17H19N3OS and a molecular weight of 313.43 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-6-propylsulfanylimidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-6-propylsulfanylimidazo[1,2-b]pyridazine
PubChem CID11358907
Molecular FormulaC17H19N3OS
Molecular Weight313.43 g/mol
Exact Mass313.12
IUPAC Name2-(4-ethoxyphenyl)-6-propylsulfanylimidazo[1,2-b]pyridazine
SMILESCCCSc1ccc2nc(-c3ccc(OCC)cc3)cn2n1
InChIInChI=1S/C17H19N3OS/c1-3-11-22-17-10-9-16-18-15(12-20(16)19-17)13-5-7-14(8-6-13)21-4-2/h5-10,12H,3-4,11H2,1-2H3
InChIKeyAXEKFGOMKANTMC-UHFFFAOYSA-N
XLogP4.30
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-6-propylsulfanylimidazo[1,2-b]pyridazine?
The IUPAC name of 2-(4-ethoxyphenyl)-6-propylsulfanylimidazo[1,2-b]pyridazine (CID 11358907) is 2-(4-ethoxyphenyl)-6-propylsulfanylimidazo[1,2-b]pyridazine.
What is the SMILES notation for 2-(4-ethoxyphenyl)-6-propylsulfanylimidazo[1,2-b]pyridazine?
The canonical SMILES for 2-(4-ethoxyphenyl)-6-propylsulfanylimidazo[1,2-b]pyridazine is CCCSc1ccc2nc(-c3ccc(OCC)cc3)cn2n1.
What is the InChIKey of 2-(4-ethoxyphenyl)-6-propylsulfanylimidazo[1,2-b]pyridazine?
The InChIKey is AXEKFGOMKANTMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3OS/c1-3-11-22-17-10-9-16-18-15(12-20(16)19-17)13-5-7-14(8-6-13)21-4-2/h5-10,12H,3-4,11H2,1-2H3.
What are the key properties of 2-(4-ethoxyphenyl)-6-propylsulfanylimidazo[1,2-b]pyridazine?
2-(4-ethoxyphenyl)-6-propylsulfanylimidazo[1,2-b]pyridazine has a molecular weight of 313.43 g/mol, XLogP of 4.30, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-6-propylsulfanylimidazo[1,2-b]pyridazine is sourced from PubChem (CID 11358907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).