6-ethylsulfanyl-3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazine

C11H10N4S2 — CID 7190319

IUPAC6-ethylsulfanyl-3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCCSc1ccc2nnc(-c3cccs3)n2n1
InChIInChI=1S/C11H10N4S2/c1-2-16-10-6-5-9-12-13-11(15(9)14-10)8-4-3-7-17-8/h3-7H,2H2,1H3
InChIKeyIDFIYCKEDYYVKR-UHFFFAOYSA-N
MW262.36 g/mol
LogP2.96
Rot. Bonds3

About 6-ethylsulfanyl-3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazine

6-ethylsulfanyl-3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 7190319) has the molecular formula C11H10N4S2 and a molecular weight of 262.36 g/mol. Its IUPAC name is 6-ethylsulfanyl-3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-ethylsulfanyl-3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID7190319
Molecular FormulaC11H10N4S2
Molecular Weight262.36 g/mol
Exact Mass262.03
IUPAC Name6-ethylsulfanyl-3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCCSc1ccc2nnc(-c3cccs3)n2n1
InChIInChI=1S/C11H10N4S2/c1-2-16-10-6-5-9-12-13-11(15(9)14-10)8-4-3-7-17-8/h3-7H,2H2,1H3
InChIKeyIDFIYCKEDYYVKR-UHFFFAOYSA-N
XLogP2.96
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-ethylsulfanyl-3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-ethylsulfanyl-3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazine (CID 7190319) is 6-ethylsulfanyl-3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-ethylsulfanyl-3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-ethylsulfanyl-3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazine is CCSc1ccc2nnc(-c3cccs3)n2n1.
What is the InChIKey of 6-ethylsulfanyl-3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is IDFIYCKEDYYVKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4S2/c1-2-16-10-6-5-9-12-13-11(15(9)14-10)8-4-3-7-17-8/h3-7H,2H2,1H3.
What are the key properties of 6-ethylsulfanyl-3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazine?
6-ethylsulfanyl-3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 262.36 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethylsulfanyl-3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 7190319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).