3-ethylsulfanyl-7-(trifluoromethyl)imidazo[1,2-b]pyridazine

C9H8F3N3S — CID 142739635

IUPAC3-ethylsulfanyl-7-(trifluoromethyl)imidazo[1,2-b]pyridazine
SMILESCCSc1cnc2cc(C(F)(F)F)cnn12
InChIInChI=1S/C9H8F3N3S/c1-2-16-8-5-13-7-3-6(9(10,11)12)4-14-15(7)8/h3-5H,2H2,1H3
InChIKeyLHROIYKPZOVBKB-UHFFFAOYSA-N
MW247.25 g/mol
LogP2.86
Rot. Bonds2

About 3-ethylsulfanyl-7-(trifluoromethyl)imidazo[1,2-b]pyridazine

3-ethylsulfanyl-7-(trifluoromethyl)imidazo[1,2-b]pyridazine (PubChem CID 142739635) has the molecular formula C9H8F3N3S and a molecular weight of 247.25 g/mol. Its IUPAC name is 3-ethylsulfanyl-7-(trifluoromethyl)imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name3-ethylsulfanyl-7-(trifluoromethyl)imidazo[1,2-b]pyridazine
PubChem CID142739635
Molecular FormulaC9H8F3N3S
Molecular Weight247.25 g/mol
Exact Mass247.04
IUPAC Name3-ethylsulfanyl-7-(trifluoromethyl)imidazo[1,2-b]pyridazine
SMILESCCSc1cnc2cc(C(F)(F)F)cnn12
InChIInChI=1S/C9H8F3N3S/c1-2-16-8-5-13-7-3-6(9(10,11)12)4-14-15(7)8/h3-5H,2H2,1H3
InChIKeyLHROIYKPZOVBKB-UHFFFAOYSA-N
XLogP2.86
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethylsulfanyl-5-(trifluoromethyl)pyrimidine
CID 13317020
3-chloro-2-ethylsulfanyl-5-(trifluoromethyl)pyridine
CID 112776146
3-ethylsulfanyl-5-(trifluoromethyl)pyridine-2-carbohydrazide
CID 118392765
2-[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine
CID 146589669
7-bromo-2-[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]imidazo[1,2-a]pyridine
CID 118973263
3-ethyl-2-[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 134524965
2-chloro-N-methyl-5-(trifluoromethyl)pyridine-3-sulfonamide
CID 162420965
2-[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]-3,6-dimethylimidazo[4,5-b]pyridine
CID 90275803
3-chloro-7-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 118995444
2-ethylsulfanyl-1,3-dinitro-5-(trifluoromethyl)benzene
CID 44589159
1-ethylsulfanyl-3-fluoro-5-(trifluoromethyl)benzene
CID 91658188
3-(ethoxymethyl)-2-(2-ethylsulfanylphenyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 86708201

Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfanyl-7-(trifluoromethyl)imidazo[1,2-b]pyridazine?
The IUPAC name of 3-ethylsulfanyl-7-(trifluoromethyl)imidazo[1,2-b]pyridazine (CID 142739635) is 3-ethylsulfanyl-7-(trifluoromethyl)imidazo[1,2-b]pyridazine.
What is the SMILES notation for 3-ethylsulfanyl-7-(trifluoromethyl)imidazo[1,2-b]pyridazine?
The canonical SMILES for 3-ethylsulfanyl-7-(trifluoromethyl)imidazo[1,2-b]pyridazine is CCSc1cnc2cc(C(F)(F)F)cnn12.
What is the InChIKey of 3-ethylsulfanyl-7-(trifluoromethyl)imidazo[1,2-b]pyridazine?
The InChIKey is LHROIYKPZOVBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N3S/c1-2-16-8-5-13-7-3-6(9(10,11)12)4-14-15(7)8/h3-5H,2H2,1H3.
What are the key properties of 3-ethylsulfanyl-7-(trifluoromethyl)imidazo[1,2-b]pyridazine?
3-ethylsulfanyl-7-(trifluoromethyl)imidazo[1,2-b]pyridazine has a molecular weight of 247.25 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfanyl-7-(trifluoromethyl)imidazo[1,2-b]pyridazine is sourced from PubChem (CID 142739635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).