3-(1-benzofuran-2-yl)-6-(2-methylsulfanylethoxy)imidazo[1,2-b]pyridazine

C17H15N3O2S — CID 71538108

IUPAC3-(1-benzofuran-2-yl)-6-(2-methylsulfanylethoxy)imidazo[1,2-b]pyridazine
SMILESCSCCOc1ccc2ncc(-c3cc4ccccc4o3)n2n1
InChIInChI=1S/C17H15N3O2S/c1-23-9-8-21-17-7-6-16-18-11-13(20(16)19-17)15-10-12-4-2-3-5-14(12)22-15/h2-7,10-11H,8-9H2,1H3
InChIKeyBLJWJCAQPDTGCS-UHFFFAOYSA-N
MW325.39 g/mol
LogP3.88
Rot. Bonds5

About 3-(1-benzofuran-2-yl)-6-(2-methylsulfanylethoxy)imidazo[1,2-b]pyridazine

3-(1-benzofuran-2-yl)-6-(2-methylsulfanylethoxy)imidazo[1,2-b]pyridazine (PubChem CID 71538108) has the molecular formula C17H15N3O2S and a molecular weight of 325.39 g/mol. Its IUPAC name is 3-(1-benzofuran-2-yl)-6-(2-methylsulfanylethoxy)imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name3-(1-benzofuran-2-yl)-6-(2-methylsulfanylethoxy)imidazo[1,2-b]pyridazine
PubChem CID71538108
Molecular FormulaC17H15N3O2S
Molecular Weight325.39 g/mol
Exact Mass325.09
IUPAC Name3-(1-benzofuran-2-yl)-6-(2-methylsulfanylethoxy)imidazo[1,2-b]pyridazine
SMILESCSCCOc1ccc2ncc(-c3cc4ccccc4o3)n2n1
InChIInChI=1S/C17H15N3O2S/c1-23-9-8-21-17-7-6-16-18-11-13(20(16)19-17)15-10-12-4-2-3-5-14(12)22-15/h2-7,10-11H,8-9H2,1H3
InChIKeyBLJWJCAQPDTGCS-UHFFFAOYSA-N
XLogP3.88
TPSA52.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 53.88
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

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Ferene Triazine
CID 146157
Ethyl 6-[4-(methoxycarbonyl)phenoxy]imidazo[1,2-b]pyridazine-2-carboxylate
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3-(8-Amino-2-furan-2-yl-[1,2,4]triazolo[1,5-a]pyrazin-6-yl)-benzoic acid ethyl ester
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3-(8-Amino-2-furan-2-yl-[1,2,4]triazolo[1,5-a]pyrazin-6-yl)-benzamide
CID 11336181
1-[3-(8-Amino-2-furan-2-yl-[1,2,4]triazolo[1,5-a]pyrazin-6-yl)-phenyl]-ethanone
CID 11359069
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CID 21874687
2-Furan-2-yl-6-(3-methanesulfonyl-phenyl)-[1,2,4]triazolo[1,5-a]pyrazin-8-ylamine
CID 44403110
2,6-Di-furan-2-yl-[1,2,4]triazolo[1,5-a]pyrazin-8-ylamine
CID 44403118
3-(8-Amino-2-furan-2-yl-[1,2,4]triazolo[1,5-a]pyrazin-6-yl)-N,N-dimethyl-benzamide
CID 44403131

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-2-yl)-6-(2-methylsulfanylethoxy)imidazo[1,2-b]pyridazine?
The IUPAC name of 3-(1-benzofuran-2-yl)-6-(2-methylsulfanylethoxy)imidazo[1,2-b]pyridazine (CID 71538108) is 3-(1-benzofuran-2-yl)-6-(2-methylsulfanylethoxy)imidazo[1,2-b]pyridazine.
What is the SMILES notation for 3-(1-benzofuran-2-yl)-6-(2-methylsulfanylethoxy)imidazo[1,2-b]pyridazine?
The canonical SMILES for 3-(1-benzofuran-2-yl)-6-(2-methylsulfanylethoxy)imidazo[1,2-b]pyridazine is CSCCOc1ccc2ncc(-c3cc4ccccc4o3)n2n1.
What is the InChIKey of 3-(1-benzofuran-2-yl)-6-(2-methylsulfanylethoxy)imidazo[1,2-b]pyridazine?
The InChIKey is BLJWJCAQPDTGCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2S/c1-23-9-8-21-17-7-6-16-18-11-13(20(16)19-17)15-10-12-4-2-3-5-14(12)22-15/h2-7,10-11H,8-9H2,1H3.
What are the key properties of 3-(1-benzofuran-2-yl)-6-(2-methylsulfanylethoxy)imidazo[1,2-b]pyridazine?
3-(1-benzofuran-2-yl)-6-(2-methylsulfanylethoxy)imidazo[1,2-b]pyridazine has a molecular weight of 325.39 g/mol, XLogP of 3.88, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzofuran-2-yl)-6-(2-methylsulfanylethoxy)imidazo[1,2-b]pyridazine is sourced from PubChem (CID 71538108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).