3-phenyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid

C13H9N3O2 — CID 16767454

IUPAC3-phenyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
SMILESO=C(O)c1ccc2nnc(-c3ccccc3)n2c1
InChIInChI=1S/C13H9N3O2/c17-13(18)10-6-7-11-14-15-12(16(11)8-10)9-4-2-1-3-5-9/h1-8H,(H,17,18)
InChIKeyPSZVQTSHDZGTBX-UHFFFAOYSA-N
MW239.23 g/mol
LogP2.09
Rot. Bonds2

About 3-phenyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid

3-phenyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid (PubChem CID 16767454) has the molecular formula C13H9N3O2 and a molecular weight of 239.23 g/mol. Its IUPAC name is 3-phenyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name3-phenyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
PubChem CID16767454
Molecular FormulaC13H9N3O2
Molecular Weight239.23 g/mol
Exact Mass239.07
IUPAC Name3-phenyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
SMILESO=C(O)c1ccc2nnc(-c3ccccc3)n2c1
InChIInChI=1S/C13H9N3O2/c17-13(18)10-6-7-11-14-15-12(16(11)8-10)9-4-2-1-3-5-9/h1-8H,(H,17,18)
InChIKeyPSZVQTSHDZGTBX-UHFFFAOYSA-N
XLogP2.09
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid?
The IUPAC name of 3-phenyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid (CID 16767454) is 3-phenyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid.
What is the SMILES notation for 3-phenyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid?
The canonical SMILES for 3-phenyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid is O=C(O)c1ccc2nnc(-c3ccccc3)n2c1.
What is the InChIKey of 3-phenyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid?
The InChIKey is PSZVQTSHDZGTBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O2/c17-13(18)10-6-7-11-14-15-12(16(11)8-10)9-4-2-1-3-5-9/h1-8H,(H,17,18).
What are the key properties of 3-phenyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid?
3-phenyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid has a molecular weight of 239.23 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid is sourced from PubChem (CID 16767454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).