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

C19H23N3O2S — CID 11302780

IUPAC6-butylsulfanyl-2-[4-(2-methoxyethoxy)phenyl]imidazo[1,2-b]pyridazine
SMILESCCCCSc1ccc2nc(-c3ccc(OCCOC)cc3)cn2n1
InChIInChI=1S/C19H23N3O2S/c1-3-4-13-25-19-10-9-18-20-17(14-22(18)21-19)15-5-7-16(8-6-15)24-12-11-23-2/h5-10,14H,3-4,11-13H2,1-2H3
InChIKeyLFSHECLATXRART-UHFFFAOYSA-N
MW357.48 g/mol
LogP4.31
Rot. Bonds9

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

6-butylsulfanyl-2-[4-(2-methoxyethoxy)phenyl]imidazo[1,2-b]pyridazine (PubChem CID 11302780) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is 6-butylsulfanyl-2-[4-(2-methoxyethoxy)phenyl]imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name6-butylsulfanyl-2-[4-(2-methoxyethoxy)phenyl]imidazo[1,2-b]pyridazine
PubChem CID11302780
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC Name6-butylsulfanyl-2-[4-(2-methoxyethoxy)phenyl]imidazo[1,2-b]pyridazine
SMILESCCCCSc1ccc2nc(-c3ccc(OCCOC)cc3)cn2n1
InChIInChI=1S/C19H23N3O2S/c1-3-4-13-25-19-10-9-18-20-17(14-22(18)21-19)15-5-7-16(8-6-15)24-12-11-23-2/h5-10,14H,3-4,11-13H2,1-2H3
InChIKeyLFSHECLATXRART-UHFFFAOYSA-N
XLogP4.31
TPSA48.65 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 54.31
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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Frequently Asked Questions

What is the IUPAC name of 6-butylsulfanyl-2-[4-(2-methoxyethoxy)phenyl]imidazo[1,2-b]pyridazine?
The IUPAC name of 6-butylsulfanyl-2-[4-(2-methoxyethoxy)phenyl]imidazo[1,2-b]pyridazine (CID 11302780) is 6-butylsulfanyl-2-[4-(2-methoxyethoxy)phenyl]imidazo[1,2-b]pyridazine.
What is the SMILES notation for 6-butylsulfanyl-2-[4-(2-methoxyethoxy)phenyl]imidazo[1,2-b]pyridazine?
The canonical SMILES for 6-butylsulfanyl-2-[4-(2-methoxyethoxy)phenyl]imidazo[1,2-b]pyridazine is CCCCSc1ccc2nc(-c3ccc(OCCOC)cc3)cn2n1.
What is the InChIKey of 6-butylsulfanyl-2-[4-(2-methoxyethoxy)phenyl]imidazo[1,2-b]pyridazine?
The InChIKey is LFSHECLATXRART-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2S/c1-3-4-13-25-19-10-9-18-20-17(14-22(18)21-19)15-5-7-16(8-6-15)24-12-11-23-2/h5-10,14H,3-4,11-13H2,1-2H3.
What are the key properties of 6-butylsulfanyl-2-[4-(2-methoxyethoxy)phenyl]imidazo[1,2-b]pyridazine?
6-butylsulfanyl-2-[4-(2-methoxyethoxy)phenyl]imidazo[1,2-b]pyridazine has a molecular weight of 357.48 g/mol, XLogP of 4.31, 9 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-methoxyethoxy)phenyl]imidazo[1,2-b]pyridazine is sourced from PubChem (CID 11302780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).