methyl 2-(methylsulfonylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate

C10H11N3O4S — CID 117257789

IUPACmethyl 2-(methylsulfonylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2nc(CS(C)(=O)=O)nn2c1
InChIInChI=1S/C10H11N3O4S/c1-17-10(14)7-3-4-9-11-8(6-18(2,15)16)12-13(9)5-7/h3-5H,6H2,1-2H3
InChIKeyJLRMCSNNKBWUCJ-UHFFFAOYSA-N
MW269.28 g/mol
LogP0.06
Rot. Bonds3

About methyl 2-(methylsulfonylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate

methyl 2-(methylsulfonylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate (PubChem CID 117257789) has the molecular formula C10H11N3O4S and a molecular weight of 269.28 g/mol. Its IUPAC name is methyl 2-(methylsulfonylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-(methylsulfonylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate
PubChem CID117257789
Molecular FormulaC10H11N3O4S
Molecular Weight269.28 g/mol
Exact Mass269.05
IUPAC Namemethyl 2-(methylsulfonylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2nc(CS(C)(=O)=O)nn2c1
InChIInChI=1S/C10H11N3O4S/c1-17-10(14)7-3-4-9-11-8(6-18(2,15)16)12-13(9)5-7/h3-5H,6H2,1-2H3
InChIKeyJLRMCSNNKBWUCJ-UHFFFAOYSA-N
XLogP0.06
TPSA90.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 50.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 2-(methylsulfonylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

methyl 2-(2-phenylethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate
CID 82567227
methyl 2-[(4-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate
CID 117130631
methyl 2-chloro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate
CID 130871543
methyl 2-[(1-methylpiperidin-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate
CID 117129300
methyl 2-(oxan-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate
CID 117129999
methyl 2-(pyrrolidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate
CID 117129158
methyl 2-[(1-methylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate
CID 117129873
methyl 2-(3,5-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate
CID 82567251
methyl 2-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate
CID 82567225
methyl 2-(5-bromo-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate
CID 82567260
methyl 2-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate
CID 117130742
methyl 2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate
CID 166392936

Frequently Asked Questions

What is the IUPAC name of methyl 2-(methylsulfonylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate?
The IUPAC name of methyl 2-(methylsulfonylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate (CID 117257789) is methyl 2-(methylsulfonylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate.
What is the SMILES notation for methyl 2-(methylsulfonylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate?
The canonical SMILES for methyl 2-(methylsulfonylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate is COC(=O)c1ccc2nc(CS(C)(=O)=O)nn2c1.
What is the InChIKey of methyl 2-(methylsulfonylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate?
The InChIKey is JLRMCSNNKBWUCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O4S/c1-17-10(14)7-3-4-9-11-8(6-18(2,15)16)12-13(9)5-7/h3-5H,6H2,1-2H3.
What are the key properties of methyl 2-(methylsulfonylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate?
methyl 2-(methylsulfonylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate has a molecular weight of 269.28 g/mol, XLogP of 0.06, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(methylsulfonylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate is sourced from PubChem (CID 117257789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).