2-benzyl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid

C14H11N3O2 — CID 82566913

IUPAC2-benzyl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
SMILESO=C(O)c1cccc2nc(Cc3ccccc3)nn12
InChIInChI=1S/C14H11N3O2/c18-14(19)11-7-4-8-13-15-12(16-17(11)13)9-10-5-2-1-3-6-10/h1-8H,9H2,(H,18,19)
InChIKeyCMMDSFKSDIINGO-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.02
Rot. Bonds3

About 2-benzyl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid

2-benzyl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid (PubChem CID 82566913) has the molecular formula C14H11N3O2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-benzyl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name2-benzyl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
PubChem CID82566913
Molecular FormulaC14H11N3O2
Molecular Weight253.26 g/mol
Exact Mass253.09
IUPAC Name2-benzyl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
SMILESO=C(O)c1cccc2nc(Cc3ccccc3)nn12
InChIInChI=1S/C14H11N3O2/c18-14(19)11-7-4-8-13-15-12(16-17(11)13)9-10-5-2-1-3-6-10/h1-8H,9H2,(H,18,19)
InChIKeyCMMDSFKSDIINGO-UHFFFAOYSA-N
XLogP2.02
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid?
The IUPAC name of 2-benzyl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid (CID 82566913) is 2-benzyl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid.
What is the SMILES notation for 2-benzyl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid?
The canonical SMILES for 2-benzyl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid is O=C(O)c1cccc2nc(Cc3ccccc3)nn12.
What is the InChIKey of 2-benzyl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid?
The InChIKey is CMMDSFKSDIINGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2/c18-14(19)11-7-4-8-13-15-12(16-17(11)13)9-10-5-2-1-3-6-10/h1-8H,9H2,(H,18,19).
What are the key properties of 2-benzyl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid?
2-benzyl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid has a molecular weight of 253.26 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid is sourced from PubChem (CID 82566913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).