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

C9H9N3O4S — CID 117257648

IUPAC2-(methylsulfonylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
SMILESCS(=O)(=O)Cc1nc2cccc(C(=O)O)n2n1
InChIInChI=1S/C9H9N3O4S/c1-17(15,16)5-7-10-8-4-2-3-6(9(13)14)12(8)11-7/h2-4H,5H2,1H3,(H,13,14)
InChIKeyFNWYRTRJHUVUOM-UHFFFAOYSA-N
MW255.25 g/mol
LogP-0.03
Rot. Bonds3

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

2-(methylsulfonylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid (PubChem CID 117257648) has the molecular formula C9H9N3O4S and a molecular weight of 255.25 g/mol. Its IUPAC name is 2-(methylsulfonylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name2-(methylsulfonylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
PubChem CID117257648
Molecular FormulaC9H9N3O4S
Molecular Weight255.25 g/mol
Exact Mass255.03
IUPAC Name2-(methylsulfonylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
SMILESCS(=O)(=O)Cc1nc2cccc(C(=O)O)n2n1
InChIInChI=1S/C9H9N3O4S/c1-17(15,16)5-7-10-8-4-2-3-6(9(13)14)12(8)11-7/h2-4H,5H2,1H3,(H,13,14)
InChIKeyFNWYRTRJHUVUOM-UHFFFAOYSA-N
XLogP-0.03
TPSA101.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.25
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(methylsulfonylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid?
The IUPAC name of 2-(methylsulfonylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid (CID 117257648) is 2-(methylsulfonylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid.
What is the SMILES notation for 2-(methylsulfonylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid?
The canonical SMILES for 2-(methylsulfonylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid is CS(=O)(=O)Cc1nc2cccc(C(=O)O)n2n1.
What is the InChIKey of 2-(methylsulfonylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid?
The InChIKey is FNWYRTRJHUVUOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O4S/c1-17(15,16)5-7-10-8-4-2-3-6(9(13)14)12(8)11-7/h2-4H,5H2,1H3,(H,13,14).
What are the key properties of 2-(methylsulfonylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid?
2-(methylsulfonylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid has a molecular weight of 255.25 g/mol, XLogP of -0.03, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylsulfonylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid is sourced from PubChem (CID 117257648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).