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

C11H10N4OS — CID 7217568

IUPAC3-ethylsulfanyl-6-(furan-2-yl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCCSc1nnc2ccc(-c3ccco3)nn12
InChIInChI=1S/C11H10N4OS/c1-2-17-11-13-12-10-6-5-8(14-15(10)11)9-4-3-7-16-9/h3-7H,2H2,1H3
InChIKeyRZTMHSOPGVGFIJ-UHFFFAOYSA-N
MW246.30 g/mol
LogP2.50
Rot. Bonds3

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

3-ethylsulfanyl-6-(furan-2-yl)-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 7217568) has the molecular formula C11H10N4OS and a molecular weight of 246.30 g/mol. Its IUPAC name is 3-ethylsulfanyl-6-(furan-2-yl)-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name3-ethylsulfanyl-6-(furan-2-yl)-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID7217568
Molecular FormulaC11H10N4OS
Molecular Weight246.30 g/mol
Exact Mass246.06
IUPAC Name3-ethylsulfanyl-6-(furan-2-yl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCCSc1nnc2ccc(-c3ccco3)nn12
InChIInChI=1S/C11H10N4OS/c1-2-17-11-13-12-10-6-5-8(14-15(10)11)9-4-3-7-16-9/h3-7H,2H2,1H3
InChIKeyRZTMHSOPGVGFIJ-UHFFFAOYSA-N
XLogP2.50
TPSA56.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.30
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfanyl-6-(furan-2-yl)-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 3-ethylsulfanyl-6-(furan-2-yl)-[1,2,4]triazolo[4,3-b]pyridazine (CID 7217568) is 3-ethylsulfanyl-6-(furan-2-yl)-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 3-ethylsulfanyl-6-(furan-2-yl)-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 3-ethylsulfanyl-6-(furan-2-yl)-[1,2,4]triazolo[4,3-b]pyridazine is CCSc1nnc2ccc(-c3ccco3)nn12.
What is the InChIKey of 3-ethylsulfanyl-6-(furan-2-yl)-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is RZTMHSOPGVGFIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4OS/c1-2-17-11-13-12-10-6-5-8(14-15(10)11)9-4-3-7-16-9/h3-7H,2H2,1H3.
What are the key properties of 3-ethylsulfanyl-6-(furan-2-yl)-[1,2,4]triazolo[4,3-b]pyridazine?
3-ethylsulfanyl-6-(furan-2-yl)-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 246.30 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfanyl-6-(furan-2-yl)-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 7217568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).