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

C14H14N4S — CID 7217462

IUPAC3-ethylsulfanyl-6-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCCSc1nnc2ccc(-c3ccc(C)cc3)nn12
InChIInChI=1S/C14H14N4S/c1-3-19-14-16-15-13-9-8-12(17-18(13)14)11-6-4-10(2)5-7-11/h4-9H,3H2,1-2H3
InChIKeyDBRPQQMAOMTRMK-UHFFFAOYSA-N
MW270.36 g/mol
LogP3.21
Rot. Bonds3

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

3-ethylsulfanyl-6-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 7217462) has the molecular formula C14H14N4S and a molecular weight of 270.36 g/mol. Its IUPAC name is 3-ethylsulfanyl-6-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name3-ethylsulfanyl-6-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID7217462
Molecular FormulaC14H14N4S
Molecular Weight270.36 g/mol
Exact Mass270.09
IUPAC Name3-ethylsulfanyl-6-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCCSc1nnc2ccc(-c3ccc(C)cc3)nn12
InChIInChI=1S/C14H14N4S/c1-3-19-14-16-15-13-9-8-12(17-18(13)14)11-6-4-10(2)5-7-11/h4-9H,3H2,1-2H3
InChIKeyDBRPQQMAOMTRMK-UHFFFAOYSA-N
XLogP3.21
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfanyl-6-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 3-ethylsulfanyl-6-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazine (CID 7217462) is 3-ethylsulfanyl-6-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 3-ethylsulfanyl-6-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 3-ethylsulfanyl-6-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazine is CCSc1nnc2ccc(-c3ccc(C)cc3)nn12.
What is the InChIKey of 3-ethylsulfanyl-6-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is DBRPQQMAOMTRMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4S/c1-3-19-14-16-15-13-9-8-12(17-18(13)14)11-6-4-10(2)5-7-11/h4-9H,3H2,1-2H3.
What are the key properties of 3-ethylsulfanyl-6-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazine?
3-ethylsulfanyl-6-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 270.36 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfanyl-6-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 7217462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).