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

C11H13N3O3S — CID 117131081

IUPAC3-(5-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)thiolane 1,1-dioxide
SMILESCOc1cccc2nc(C3CCS(=O)(=O)C3)nn12
InChIInChI=1S/C11H13N3O3S/c1-17-10-4-2-3-9-12-11(13-14(9)10)8-5-6-18(15,16)7-8/h2-4,8H,5-7H2,1H3
InChIKeyMALOSLPVWSOPTL-UHFFFAOYSA-N
MW267.31 g/mol
LogP0.64
Rot. Bonds2

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

3-(5-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)thiolane 1,1-dioxide (PubChem CID 117131081) has the molecular formula C11H13N3O3S and a molecular weight of 267.31 g/mol. Its IUPAC name is 3-(5-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)thiolane 1,1-dioxide.

Molecular Properties

Compound Name3-(5-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)thiolane 1,1-dioxide
PubChem CID117131081
Molecular FormulaC11H13N3O3S
Molecular Weight267.31 g/mol
Exact Mass267.07
IUPAC Name3-(5-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)thiolane 1,1-dioxide
SMILESCOc1cccc2nc(C3CCS(=O)(=O)C3)nn12
InChIInChI=1S/C11H13N3O3S/c1-17-10-4-2-3-9-12-11(13-14(9)10)8-5-6-18(15,16)7-8/h2-4,8H,5-7H2,1H3
InChIKeyMALOSLPVWSOPTL-UHFFFAOYSA-N
XLogP0.64
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 ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-(5-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)thiolane 1,1-dioxide with MolForge

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Related Compounds

3-(5-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)thiane 1,1-dioxide
CID 117131596
3-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)thiolane 1,1-dioxide
CID 117131136
2-(1,1-dioxothiolan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 117131133
4-[(5-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]thiane 1,1-dioxide
CID 117131468
2-(1,1-dioxothian-3-yl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
CID 117131700
2-(1,1-dioxothiolan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-amine
CID 117133515
2-[(5-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]thiane 1,1-dioxide
CID 117132118
2-(1,1-dioxothiolan-3-yl)imidazo[1,2-a]pyridin-5-amine
CID 117131128
4-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)thiane 1,1-dioxide
CID 117133645
4-[3-(1,1-dioxothiolan-3-yl)-1,2,4-oxadiazol-5-yl]-2-methoxyphenol
CID 136965642
2-[3-(1,1-dioxothiolan-3-yl)-1,2,4-oxadiazol-5-yl]-4-methoxyaniline
CID 115411915
1-(2-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)propan-2-one
CID 83835612

Frequently Asked Questions

What is the IUPAC name of 3-(5-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)thiolane 1,1-dioxide?
The IUPAC name of 3-(5-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)thiolane 1,1-dioxide (CID 117131081) is 3-(5-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)thiolane 1,1-dioxide.
What is the SMILES notation for 3-(5-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)thiolane 1,1-dioxide?
The canonical SMILES for 3-(5-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)thiolane 1,1-dioxide is COc1cccc2nc(C3CCS(=O)(=O)C3)nn12.
What is the InChIKey of 3-(5-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)thiolane 1,1-dioxide?
The InChIKey is MALOSLPVWSOPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3S/c1-17-10-4-2-3-9-12-11(13-14(9)10)8-5-6-18(15,16)7-8/h2-4,8H,5-7H2,1H3.
What are the key properties of 3-(5-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)thiolane 1,1-dioxide?
3-(5-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)thiolane 1,1-dioxide has a molecular weight of 267.31 g/mol, XLogP of 0.64, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)thiolane 1,1-dioxide is sourced from PubChem (CID 117131081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).