6-butylsulfanyl-2-[4-(2-ethoxyethoxy)phenyl]imidazo[1,2-b]pyridazine

C20H25N3O2S — CID 11372173

IUPAC6-butylsulfanyl-2-[4-(2-ethoxyethoxy)phenyl]imidazo[1,2-b]pyridazine
SMILESCCCCSc1ccc2nc(-c3ccc(OCCOCC)cc3)cn2n1
InChIInChI=1S/C20H25N3O2S/c1-3-5-14-26-20-11-10-19-21-18(15-23(19)22-20)16-6-8-17(9-7-16)25-13-12-24-4-2/h6-11,15H,3-5,12-14H2,1-2H3
InChIKeyZMHVCKVMUZQYBT-UHFFFAOYSA-N
MW371.51 g/mol
LogP4.70
Rot. Bonds10

About 6-butylsulfanyl-2-[4-(2-ethoxyethoxy)phenyl]imidazo[1,2-b]pyridazine

6-butylsulfanyl-2-[4-(2-ethoxyethoxy)phenyl]imidazo[1,2-b]pyridazine (PubChem CID 11372173) has the molecular formula C20H25N3O2S and a molecular weight of 371.51 g/mol. Its IUPAC name is 6-butylsulfanyl-2-[4-(2-ethoxyethoxy)phenyl]imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name6-butylsulfanyl-2-[4-(2-ethoxyethoxy)phenyl]imidazo[1,2-b]pyridazine
PubChem CID11372173
Molecular FormulaC20H25N3O2S
Molecular Weight371.51 g/mol
Exact Mass371.17
IUPAC Name6-butylsulfanyl-2-[4-(2-ethoxyethoxy)phenyl]imidazo[1,2-b]pyridazine
SMILESCCCCSc1ccc2nc(-c3ccc(OCCOCC)cc3)cn2n1
InChIInChI=1S/C20H25N3O2S/c1-3-5-14-26-20-11-10-19-21-18(15-23(19)22-20)16-6-8-17(9-7-16)25-13-12-24-4-2/h6-11,15H,3-5,12-14H2,1-2H3
InChIKeyZMHVCKVMUZQYBT-UHFFFAOYSA-N
XLogP4.70
TPSA48.65 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(4-butoxyphenyl)-6-butylsulfanylimidazo[1,2-a]pyridine
CID 135215156
2-(3,4-dimethylphenyl)-6-propylsulfanylimidazo[1,2-b]pyridazine
CID 10040299
2-[3-[4-(6-butylsulfanylimidazo[1,2-a]pyridin-2-yl)phenoxy]propyl]guanidine
CID 130385568
3,6-bis(4-decoxyphenyl)pyridazine
CID 101171713
2-(4-butoxyphenyl)-7-methylimidazo[1,2-a]pyridine
CID 19210007
2-(4-chlorophenyl)-6-ethoxyimidazo[1,2-b]pyridazine
CID 10659888
N-butyl-N-[3-(4-imidazo[1,2-a]pyridin-2-ylphenoxy)propyl]butan-1-amine;hydrochloride
CID 52947788
1-pentoxy-4-(4-undecylsulfanylphenyl)benzene
CID 70386945
1-dodecylsulfanyl-4-(4-pentoxyphenyl)benzene
CID 70387892
N-[(4-butoxyphenyl)methyl]-4-(2-ethoxyethoxy)aniline
CID 54801022
2-butyl-6-(4-ethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 16644204
2,5-bis(4-hexoxyphenyl)pyrazine
CID 86183417

Frequently Asked Questions

What is the IUPAC name of 6-butylsulfanyl-2-[4-(2-ethoxyethoxy)phenyl]imidazo[1,2-b]pyridazine?
The IUPAC name of 6-butylsulfanyl-2-[4-(2-ethoxyethoxy)phenyl]imidazo[1,2-b]pyridazine (CID 11372173) is 6-butylsulfanyl-2-[4-(2-ethoxyethoxy)phenyl]imidazo[1,2-b]pyridazine.
What is the SMILES notation for 6-butylsulfanyl-2-[4-(2-ethoxyethoxy)phenyl]imidazo[1,2-b]pyridazine?
The canonical SMILES for 6-butylsulfanyl-2-[4-(2-ethoxyethoxy)phenyl]imidazo[1,2-b]pyridazine is CCCCSc1ccc2nc(-c3ccc(OCCOCC)cc3)cn2n1.
What is the InChIKey of 6-butylsulfanyl-2-[4-(2-ethoxyethoxy)phenyl]imidazo[1,2-b]pyridazine?
The InChIKey is ZMHVCKVMUZQYBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2S/c1-3-5-14-26-20-11-10-19-21-18(15-23(19)22-20)16-6-8-17(9-7-16)25-13-12-24-4-2/h6-11,15H,3-5,12-14H2,1-2H3.
What are the key properties of 6-butylsulfanyl-2-[4-(2-ethoxyethoxy)phenyl]imidazo[1,2-b]pyridazine?
6-butylsulfanyl-2-[4-(2-ethoxyethoxy)phenyl]imidazo[1,2-b]pyridazine has a molecular weight of 371.51 g/mol, XLogP of 4.70, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butylsulfanyl-2-[4-(2-ethoxyethoxy)phenyl]imidazo[1,2-b]pyridazine is sourced from PubChem (CID 11372173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).