6-ethylsulfanyl-3-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine

C13H11FN4S — CID 3237709

IUPAC6-ethylsulfanyl-3-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCCSc1ccc2nnc(-c3cccc(F)c3)n2n1
InChIInChI=1S/C13H11FN4S/c1-2-19-12-7-6-11-15-16-13(18(11)17-12)9-4-3-5-10(14)8-9/h3-8H,2H2,1H3
InChIKeyBWMLCTIDMRLAPG-UHFFFAOYSA-N
MW274.32 g/mol
LogP3.04
Rot. Bonds3

About 6-ethylsulfanyl-3-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine

6-ethylsulfanyl-3-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 3237709) has the molecular formula C13H11FN4S and a molecular weight of 274.32 g/mol. Its IUPAC name is 6-ethylsulfanyl-3-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-ethylsulfanyl-3-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID3237709
Molecular FormulaC13H11FN4S
Molecular Weight274.32 g/mol
Exact Mass274.07
IUPAC Name6-ethylsulfanyl-3-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCCSc1ccc2nnc(-c3cccc(F)c3)n2n1
InChIInChI=1S/C13H11FN4S/c1-2-19-12-7-6-11-15-16-13(18(11)17-12)9-4-3-5-10(14)8-9/h3-8H,2H2,1H3
InChIKeyBWMLCTIDMRLAPG-UHFFFAOYSA-N
XLogP3.04
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(4-Fluorophenyl)methylsulfanyl]-3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 7190719
2-[(3-Fluorobenzyl)thio]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidine
CID 3305316
6-Ethylsulfanyl-3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 7190319
6-((3-Fluorobenzyl)thio)-3-(pyridin-3-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 7190718
3-(Ethylthio)-6-(p-tolyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 7217462
6-(4-Methylphenyl)-3-methylsulfanyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 7531404
3-Phenyl-6-[3-(trifluoromethyl)phenyl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 2727432
3-Methyl-6-phenyl[1,2,4]triazolo[4,3-b]pyridazine
CID 12726814
6-(p-Fluorophenyl)-3-methyl-1,2,4-triazolo[4,3-b]pyridazine
CID 12726821
N-[(3,4-difluorophenyl)methyl]-N,3-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 137655957
2-[(2,5-Dimethyl-3-phenyl-7-pyrazolo[1,5-a]pyrimidinyl)thio]acetonitrile
CID 665776
6-(Ethylthio)-3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 3238673

Frequently Asked Questions

What is the IUPAC name of 6-ethylsulfanyl-3-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-ethylsulfanyl-3-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine (CID 3237709) is 6-ethylsulfanyl-3-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-ethylsulfanyl-3-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-ethylsulfanyl-3-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine is CCSc1ccc2nnc(-c3cccc(F)c3)n2n1.
What is the InChIKey of 6-ethylsulfanyl-3-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is BWMLCTIDMRLAPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN4S/c1-2-19-12-7-6-11-15-16-13(18(11)17-12)9-4-3-5-10(14)8-9/h3-8H,2H2,1H3.
What are the key properties of 6-ethylsulfanyl-3-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine?
6-ethylsulfanyl-3-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 274.32 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethylsulfanyl-3-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 3237709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).