8-methoxy-4-methyl-1-methylsulfanyl-[1,2,4]triazolo[4,3-a]quinoline

C13H13N3OS — CID 859848

IUPAC8-methoxy-4-methyl-1-methylsulfanyl-[1,2,4]triazolo[4,3-a]quinoline
SMILESCOc1ccc2cc(C)c3nnc(SC)n3c2c1
InChIInChI=1S/C13H13N3OS/c1-8-6-9-4-5-10(17-2)7-11(9)16-12(8)14-15-13(16)18-3/h4-7H,1-3H3
InChIKeyMERZWINJMXKEBA-UHFFFAOYSA-N
MW259.33 g/mol
LogP2.92
Rot. Bonds2

About 8-methoxy-4-methyl-1-methylsulfanyl-[1,2,4]triazolo[4,3-a]quinoline

8-methoxy-4-methyl-1-methylsulfanyl-[1,2,4]triazolo[4,3-a]quinoline (PubChem CID 859848) has the molecular formula C13H13N3OS and a molecular weight of 259.33 g/mol. Its IUPAC name is 8-methoxy-4-methyl-1-methylsulfanyl-[1,2,4]triazolo[4,3-a]quinoline.

Molecular Properties

Compound Name8-methoxy-4-methyl-1-methylsulfanyl-[1,2,4]triazolo[4,3-a]quinoline
PubChem CID859848
Molecular FormulaC13H13N3OS
Molecular Weight259.33 g/mol
Exact Mass259.08
IUPAC Name8-methoxy-4-methyl-1-methylsulfanyl-[1,2,4]triazolo[4,3-a]quinoline
SMILESCOc1ccc2cc(C)c3nnc(SC)n3c2c1
InChIInChI=1S/C13H13N3OS/c1-8-6-9-4-5-10(17-2)7-11(9)16-12(8)14-15-13(16)18-3/h4-7H,1-3H3
InChIKeyMERZWINJMXKEBA-UHFFFAOYSA-N
XLogP2.92
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 8-methoxy-4-methyl-1-methylsulfanyl-[1,2,4]triazolo[4,3-a]quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-4-methyl-1-methylsulfanyl-[1,2,4]triazolo[4,3-a]quinoline?
The IUPAC name of 8-methoxy-4-methyl-1-methylsulfanyl-[1,2,4]triazolo[4,3-a]quinoline (CID 859848) is 8-methoxy-4-methyl-1-methylsulfanyl-[1,2,4]triazolo[4,3-a]quinoline.
What is the SMILES notation for 8-methoxy-4-methyl-1-methylsulfanyl-[1,2,4]triazolo[4,3-a]quinoline?
The canonical SMILES for 8-methoxy-4-methyl-1-methylsulfanyl-[1,2,4]triazolo[4,3-a]quinoline is COc1ccc2cc(C)c3nnc(SC)n3c2c1.
What is the InChIKey of 8-methoxy-4-methyl-1-methylsulfanyl-[1,2,4]triazolo[4,3-a]quinoline?
The InChIKey is MERZWINJMXKEBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3OS/c1-8-6-9-4-5-10(17-2)7-11(9)16-12(8)14-15-13(16)18-3/h4-7H,1-3H3.
What are the key properties of 8-methoxy-4-methyl-1-methylsulfanyl-[1,2,4]triazolo[4,3-a]quinoline?
8-methoxy-4-methyl-1-methylsulfanyl-[1,2,4]triazolo[4,3-a]quinoline has a molecular weight of 259.33 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-4-methyl-1-methylsulfanyl-[1,2,4]triazolo[4,3-a]quinoline is sourced from PubChem (CID 859848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).