2-(3,4-dimethylphenyl)-6-propylsulfanylimidazo[1,2-b]pyridazine

C17H19N3S — CID 10040299

IUPAC2-(3,4-dimethylphenyl)-6-propylsulfanylimidazo[1,2-b]pyridazine
SMILESCCCSc1ccc2nc(-c3ccc(C)c(C)c3)cn2n1
InChIInChI=1S/C17H19N3S/c1-4-9-21-17-8-7-16-18-15(11-20(16)19-17)14-6-5-12(2)13(3)10-14/h5-8,10-11H,4,9H2,1-3H3
InChIKeyHZHLSAIUBLWXTQ-UHFFFAOYSA-N
MW297.43 g/mol
LogP4.52
Rot. Bonds4

About 2-(3,4-dimethylphenyl)-6-propylsulfanylimidazo[1,2-b]pyridazine

2-(3,4-dimethylphenyl)-6-propylsulfanylimidazo[1,2-b]pyridazine (PubChem CID 10040299) has the molecular formula C17H19N3S and a molecular weight of 297.43 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-6-propylsulfanylimidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-6-propylsulfanylimidazo[1,2-b]pyridazine
PubChem CID10040299
Molecular FormulaC17H19N3S
Molecular Weight297.43 g/mol
Exact Mass297.13
IUPAC Name2-(3,4-dimethylphenyl)-6-propylsulfanylimidazo[1,2-b]pyridazine
SMILESCCCSc1ccc2nc(-c3ccc(C)c(C)c3)cn2n1
InChIInChI=1S/C17H19N3S/c1-4-9-21-17-8-7-16-18-15(11-20(16)19-17)14-6-5-12(2)13(3)10-14/h5-8,10-11H,4,9H2,1-3H3
InChIKeyHZHLSAIUBLWXTQ-UHFFFAOYSA-N
XLogP4.52
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.43
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-6-propylsulfanylimidazo[1,2-b]pyridazine?
The IUPAC name of 2-(3,4-dimethylphenyl)-6-propylsulfanylimidazo[1,2-b]pyridazine (CID 10040299) is 2-(3,4-dimethylphenyl)-6-propylsulfanylimidazo[1,2-b]pyridazine.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-6-propylsulfanylimidazo[1,2-b]pyridazine?
The canonical SMILES for 2-(3,4-dimethylphenyl)-6-propylsulfanylimidazo[1,2-b]pyridazine is CCCSc1ccc2nc(-c3ccc(C)c(C)c3)cn2n1.
What is the InChIKey of 2-(3,4-dimethylphenyl)-6-propylsulfanylimidazo[1,2-b]pyridazine?
The InChIKey is HZHLSAIUBLWXTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3S/c1-4-9-21-17-8-7-16-18-15(11-20(16)19-17)14-6-5-12(2)13(3)10-14/h5-8,10-11H,4,9H2,1-3H3.
What are the key properties of 2-(3,4-dimethylphenyl)-6-propylsulfanylimidazo[1,2-b]pyridazine?
2-(3,4-dimethylphenyl)-6-propylsulfanylimidazo[1,2-b]pyridazine has a molecular weight of 297.43 g/mol, XLogP of 4.52, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-6-propylsulfanylimidazo[1,2-b]pyridazine is sourced from PubChem (CID 10040299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).