2-(8-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)thiolane 1,1-dioxide

C11H13N3O3S — CID 117145429

IUPAC2-(8-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)thiolane 1,1-dioxide
SMILESCOc1cccn2c(C3CCCS3(=O)=O)nnc12
InChIInChI=1S/C11H13N3O3S/c1-17-8-4-2-6-14-10(8)12-13-11(14)9-5-3-7-18(9,15)16/h2,4,6,9H,3,5,7H2,1H3
InChIKeyXGQDZBWKEAKALS-UHFFFAOYSA-N
MW267.31 g/mol
LogP0.99
Rot. Bonds2

About 2-(8-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)thiolane 1,1-dioxide

2-(8-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)thiolane 1,1-dioxide (PubChem CID 117145429) has the molecular formula C11H13N3O3S and a molecular weight of 267.31 g/mol. Its IUPAC name is 2-(8-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)thiolane 1,1-dioxide.

Molecular Properties

Compound Name2-(8-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)thiolane 1,1-dioxide
PubChem CID117145429
Molecular FormulaC11H13N3O3S
Molecular Weight267.31 g/mol
Exact Mass267.07
IUPAC Name2-(8-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)thiolane 1,1-dioxide
SMILESCOc1cccn2c(C3CCCS3(=O)=O)nnc12
InChIInChI=1S/C11H13N3O3S/c1-17-8-4-2-6-14-10(8)12-13-11(14)9-5-3-7-18(9,15)16/h2,4,6,9H,3,5,7H2,1H3
InChIKeyXGQDZBWKEAKALS-UHFFFAOYSA-N
XLogP0.99
TPSA73.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(8-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)thiolane 1,1-dioxide with MolForge

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Related Compounds

2-(8-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)thiane 1,1-dioxide
CID 117145442
8-methoxy-3-pyrrolidin-2-yl-[1,2,4]triazolo[4,3-a]pyridine
CID 84750915
8-methoxy-3-(1-methylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117145448
N-(3-cyclopentyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-2-methoxybenzamide
CID 86763634
4-(8-methoxyimidazo[1,5-a]pyridin-3-yl)thiane 1,1-dioxide
CID 117145378
2-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)thiolane 1,1-dioxide
CID 117141535
3-cyclobutyl-N-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
CID 86764840
methyl 3-(1,1-dioxothian-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate
CID 117147483
3-tert-butyl-8-methoxy-[1,2,4]triazolo[4,3-a]pyridine
CID 117145572
8-methoxy-3-(thiolan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117145458
3-(1,1-dioxothian-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-amine
CID 117144113
2-[(8-methoxyimidazo[1,2-a]pyridin-2-yl)methyl]thiane 1,1-dioxide
CID 117136792

Frequently Asked Questions

What is the IUPAC name of 2-(8-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)thiolane 1,1-dioxide?
The IUPAC name of 2-(8-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)thiolane 1,1-dioxide (CID 117145429) is 2-(8-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)thiolane 1,1-dioxide.
What is the SMILES notation for 2-(8-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)thiolane 1,1-dioxide?
The canonical SMILES for 2-(8-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)thiolane 1,1-dioxide is COc1cccn2c(C3CCCS3(=O)=O)nnc12.
What is the InChIKey of 2-(8-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)thiolane 1,1-dioxide?
The InChIKey is XGQDZBWKEAKALS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3S/c1-17-8-4-2-6-14-10(8)12-13-11(14)9-5-3-7-18(9,15)16/h2,4,6,9H,3,5,7H2,1H3.
What are the key properties of 2-(8-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)thiolane 1,1-dioxide?
2-(8-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)thiolane 1,1-dioxide has a molecular weight of 267.31 g/mol, XLogP of 0.99, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)thiolane 1,1-dioxide is sourced from PubChem (CID 117145429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).