2-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)thiolane 1,1-dioxide

C11H13N3O2S — CID 117141535

IUPAC2-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)thiolane 1,1-dioxide
SMILESCc1cccc2nnc(C3CCCS3(=O)=O)n12
InChIInChI=1S/C11H13N3O2S/c1-8-4-2-6-10-12-13-11(14(8)10)9-5-3-7-17(9,15)16/h2,4,6,9H,3,5,7H2,1H3
InChIKeyOXDTVYRNOKPRAY-UHFFFAOYSA-N
MW251.31 g/mol
LogP1.29
Rot. Bonds1

About 2-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)thiolane 1,1-dioxide

2-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)thiolane 1,1-dioxide (PubChem CID 117141535) has the molecular formula C11H13N3O2S and a molecular weight of 251.31 g/mol. Its IUPAC name is 2-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)thiolane 1,1-dioxide.

Molecular Properties

Compound Name2-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)thiolane 1,1-dioxide
PubChem CID117141535
Molecular FormulaC11H13N3O2S
Molecular Weight251.31 g/mol
Exact Mass251.07
IUPAC Name2-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)thiolane 1,1-dioxide
SMILESCc1cccc2nnc(C3CCCS3(=O)=O)n12
InChIInChI=1S/C11H13N3O2S/c1-8-4-2-6-10-12-13-11(14(8)10)9-5-3-7-17(9,15)16/h2,4,6,9H,3,5,7H2,1H3
InChIKeyOXDTVYRNOKPRAY-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 ≤ 500251.31
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)thiolane 1,1-dioxide?
The IUPAC name of 2-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)thiolane 1,1-dioxide (CID 117141535) is 2-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)thiolane 1,1-dioxide.
What is the SMILES notation for 2-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)thiolane 1,1-dioxide?
The canonical SMILES for 2-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)thiolane 1,1-dioxide is Cc1cccc2nnc(C3CCCS3(=O)=O)n12.
What is the InChIKey of 2-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)thiolane 1,1-dioxide?
The InChIKey is OXDTVYRNOKPRAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S/c1-8-4-2-6-10-12-13-11(14(8)10)9-5-3-7-17(9,15)16/h2,4,6,9H,3,5,7H2,1H3.
What are the key properties of 2-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)thiolane 1,1-dioxide?
2-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)thiolane 1,1-dioxide has a molecular weight of 251.31 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 2-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)thiolane 1,1-dioxide is sourced from PubChem (CID 117141535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).