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

C10H8N4S2 — CID 7531835

IUPAC3-methylsulfanyl-6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCSc1nnc2ccc(-c3cccs3)nn12
InChIInChI=1S/C10H8N4S2/c1-15-10-12-11-9-5-4-7(13-14(9)10)8-3-2-6-16-8/h2-6H,1H3
InChIKeyGRDDZPVFPDIFBK-UHFFFAOYSA-N
MW248.34 g/mol
LogP2.57
Rot. Bonds2

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

3-methylsulfanyl-6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 7531835) has the molecular formula C10H8N4S2 and a molecular weight of 248.34 g/mol. Its IUPAC name is 3-methylsulfanyl-6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name3-methylsulfanyl-6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID7531835
Molecular FormulaC10H8N4S2
Molecular Weight248.34 g/mol
Exact Mass248.02
IUPAC Name3-methylsulfanyl-6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCSc1nnc2ccc(-c3cccs3)nn12
InChIInChI=1S/C10H8N4S2/c1-15-10-12-11-9-5-4-7(13-14(9)10)8-3-2-6-16-8/h2-6H,1H3
InChIKeyGRDDZPVFPDIFBK-UHFFFAOYSA-N
XLogP2.57
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.34
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanyl-6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 3-methylsulfanyl-6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazine (CID 7531835) is 3-methylsulfanyl-6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 3-methylsulfanyl-6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 3-methylsulfanyl-6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazine is CSc1nnc2ccc(-c3cccs3)nn12.
What is the InChIKey of 3-methylsulfanyl-6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is GRDDZPVFPDIFBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4S2/c1-15-10-12-11-9-5-4-7(13-14(9)10)8-3-2-6-16-8/h2-6H,1H3.
What are the key properties of 3-methylsulfanyl-6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazine?
3-methylsulfanyl-6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 248.34 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanyl-6-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 7531835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).