8-methylsulfonyl-[1,2,4]triazolo[4,3-a]quinoline

C11H9N3O2S — CID 174158222

IUPAC8-methylsulfonyl-[1,2,4]triazolo[4,3-a]quinoline
SMILESCS(=O)(=O)c1ccc2ccc3nncn3c2c1
InChIInChI=1S/C11H9N3O2S/c1-17(15,16)9-4-2-8-3-5-11-13-12-7-14(11)10(8)6-9/h2-7H,1H3
InChIKeyFPDNWVJFONBJNN-UHFFFAOYSA-N
MW247.28 g/mol
LogP1.29
Rot. Bonds1

About 8-methylsulfonyl-[1,2,4]triazolo[4,3-a]quinoline

8-methylsulfonyl-[1,2,4]triazolo[4,3-a]quinoline (PubChem CID 174158222) has the molecular formula C11H9N3O2S and a molecular weight of 247.28 g/mol. Its IUPAC name is 8-methylsulfonyl-[1,2,4]triazolo[4,3-a]quinoline.

Molecular Properties

Compound Name8-methylsulfonyl-[1,2,4]triazolo[4,3-a]quinoline
PubChem CID174158222
Molecular FormulaC11H9N3O2S
Molecular Weight247.28 g/mol
Exact Mass247.04
IUPAC Name8-methylsulfonyl-[1,2,4]triazolo[4,3-a]quinoline
SMILESCS(=O)(=O)c1ccc2ccc3nncn3c2c1
InChIInChI=1S/C11H9N3O2S/c1-17(15,16)9-4-2-8-3-5-11-13-12-7-14(11)10(8)6-9/h2-7H,1H3
InChIKeyFPDNWVJFONBJNN-UHFFFAOYSA-N
XLogP1.29
TPSA64.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-6-methylsulfonylindole
CID 67305770
7-methylsulfonyl-3-([1,2,4]triazolo[4,3-a]pyrazin-5-yl)-1,2,4,5-tetrahydro-3-benzazepine
CID 126807001
2-methyl-6-methylsulfonylindole-1-carboxylic acid
CID 22034368
(2S)-1-(6-methylsulfonylindazol-1-yl)propan-2-amine
CID 10220646
4-bromo-6-methylsulfonylisoquinoline
CID 166085934
6-methylsulfonylnaphthalen-2-amine
CID 23423665
6-methylsulfonyl-1-[(E)-3-phenylprop-2-enoxy]indole
CID 6104200
7-methyl-5-phenyl-[1,2,4]triazolo[4,3-a]quinoline
CID 25186493
2-ethyl-6-methylsulfonylnaphthalene
CID 67478428
1-(1-methyl-6-methylsulfonylindol-3-yl)ethanone
CID 83919780
N-(4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide
CID 53158095
1-(benzenesulfonyl)-2-ethyl-5-methylsulfonylindole
CID 139760319

Frequently Asked Questions

What is the IUPAC name of 8-methylsulfonyl-[1,2,4]triazolo[4,3-a]quinoline?
The IUPAC name of 8-methylsulfonyl-[1,2,4]triazolo[4,3-a]quinoline (CID 174158222) is 8-methylsulfonyl-[1,2,4]triazolo[4,3-a]quinoline.
What is the SMILES notation for 8-methylsulfonyl-[1,2,4]triazolo[4,3-a]quinoline?
The canonical SMILES for 8-methylsulfonyl-[1,2,4]triazolo[4,3-a]quinoline is CS(=O)(=O)c1ccc2ccc3nncn3c2c1.
What is the InChIKey of 8-methylsulfonyl-[1,2,4]triazolo[4,3-a]quinoline?
The InChIKey is FPDNWVJFONBJNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O2S/c1-17(15,16)9-4-2-8-3-5-11-13-12-7-14(11)10(8)6-9/h2-7H,1H3.
What are the key properties of 8-methylsulfonyl-[1,2,4]triazolo[4,3-a]quinoline?
8-methylsulfonyl-[1,2,4]triazolo[4,3-a]quinoline has a molecular weight of 247.28 g/mol, XLogP of 1.29, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methylsulfonyl-[1,2,4]triazolo[4,3-a]quinoline is sourced from PubChem (CID 174158222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).