2-(2-phenoxyethyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid

C15H13N3O3 — CID 83965732

IUPAC2-(2-phenoxyethyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid
SMILESO=C(O)c1ccn2nc(CCOc3ccccc3)nc2c1
InChIInChI=1S/C15H13N3O3/c19-15(20)11-6-8-18-14(10-11)16-13(17-18)7-9-21-12-4-2-1-3-5-12/h1-6,8,10H,7,9H2,(H,19,20)
InChIKeyDEKXUQRDLGGKSJ-UHFFFAOYSA-N
MW283.29 g/mol
LogP2.05
Rot. Bonds5

About 2-(2-phenoxyethyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid

2-(2-phenoxyethyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid (PubChem CID 83965732) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is 2-(2-phenoxyethyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name2-(2-phenoxyethyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid
PubChem CID83965732
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC Name2-(2-phenoxyethyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid
SMILESO=C(O)c1ccn2nc(CCOc3ccccc3)nc2c1
InChIInChI=1S/C15H13N3O3/c19-15(20)11-6-8-18-14(10-11)16-13(17-18)7-9-21-12-4-2-1-3-5-12/h1-6,8,10H,7,9H2,(H,19,20)
InChIKeyDEKXUQRDLGGKSJ-UHFFFAOYSA-N
XLogP2.05
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-phenoxyethyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid?
The IUPAC name of 2-(2-phenoxyethyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid (CID 83965732) is 2-(2-phenoxyethyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid.
What is the SMILES notation for 2-(2-phenoxyethyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid?
The canonical SMILES for 2-(2-phenoxyethyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid is O=C(O)c1ccn2nc(CCOc3ccccc3)nc2c1.
What is the InChIKey of 2-(2-phenoxyethyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid?
The InChIKey is DEKXUQRDLGGKSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3/c19-15(20)11-6-8-18-14(10-11)16-13(17-18)7-9-21-12-4-2-1-3-5-12/h1-6,8,10H,7,9H2,(H,19,20).
What are the key properties of 2-(2-phenoxyethyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid?
2-(2-phenoxyethyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid has a molecular weight of 283.29 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenoxyethyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid is sourced from PubChem (CID 83965732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).