2-(sulfanylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid

C8H7N3O2S — CID 117257824

IUPAC2-(sulfanylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid
SMILESO=C(O)c1ccc2nc(CS)nn2c1
InChIInChI=1S/C8H7N3O2S/c12-8(13)5-1-2-7-9-6(4-14)10-11(7)3-5/h1-3,14H,4H2,(H,12,13)
InChIKeyIYRYPUBQIGLDRL-UHFFFAOYSA-N
MW209.23 g/mol
LogP0.86
Rot. Bonds2

About 2-(sulfanylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid

2-(sulfanylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid (PubChem CID 117257824) has the molecular formula C8H7N3O2S and a molecular weight of 209.23 g/mol. Its IUPAC name is 2-(sulfanylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name2-(sulfanylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid
PubChem CID117257824
Molecular FormulaC8H7N3O2S
Molecular Weight209.23 g/mol
Exact Mass209.03
IUPAC Name2-(sulfanylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid
SMILESO=C(O)c1ccc2nc(CS)nn2c1
InChIInChI=1S/C8H7N3O2S/c12-8(13)5-1-2-7-9-6(4-14)10-11(7)3-5/h1-3,14H,4H2,(H,12,13)
InChIKeyIYRYPUBQIGLDRL-UHFFFAOYSA-N
XLogP0.86
TPSA67.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.23
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid
CID 82566873
2-(oxan-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid
CID 117129285
2-[(4-fluorophenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid
CID 117257810
2-[(1-methylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid
CID 117129871
2-(dichloromethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid
CID 82566850
2-(piperidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid
CID 117130151
methyl 2-(2-phenylethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate
CID 82567227
2-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)acetic acid
CID 83866305
methyl 2-(methylsulfonylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate
CID 117257789
2-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid
CID 117130740
2-(1-ethylpiperidin-3-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid
CID 117129445
4-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzoic acid
CID 117127908

Frequently Asked Questions

What is the IUPAC name of 2-(sulfanylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid?
The IUPAC name of 2-(sulfanylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid (CID 117257824) is 2-(sulfanylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid.
What is the SMILES notation for 2-(sulfanylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid?
The canonical SMILES for 2-(sulfanylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid is O=C(O)c1ccc2nc(CS)nn2c1.
What is the InChIKey of 2-(sulfanylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid?
The InChIKey is IYRYPUBQIGLDRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2S/c12-8(13)5-1-2-7-9-6(4-14)10-11(7)3-5/h1-3,14H,4H2,(H,12,13).
What are the key properties of 2-(sulfanylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid?
2-(sulfanylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid has a molecular weight of 209.23 g/mol, XLogP of 0.86, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(sulfanylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid is sourced from PubChem (CID 117257824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).