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

C15H11N3O2 — CID 83965742

IUPAC2-[(E)-2-phenylethenyl]-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid
SMILESO=C(O)c1ccn2nc(/C=C/c3ccccc3)nc2c1
InChIInChI=1S/C15H11N3O2/c19-15(20)12-8-9-18-14(10-12)16-13(17-18)7-6-11-4-2-1-3-5-11/h1-10H,(H,19,20)/b7-6+
InChIKeyIRDWIOFEANUHEA-VOTSOKGWSA-N
MW265.27 g/mol
LogP2.60
Rot. Bonds3

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

2-[(E)-2-phenylethenyl]-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid (PubChem CID 83965742) has the molecular formula C15H11N3O2 and a molecular weight of 265.27 g/mol. Its IUPAC name is 2-[(E)-2-phenylethenyl]-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name2-[(E)-2-phenylethenyl]-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid
PubChem CID83965742
Molecular FormulaC15H11N3O2
Molecular Weight265.27 g/mol
Exact Mass265.09
IUPAC Name2-[(E)-2-phenylethenyl]-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid
SMILESO=C(O)c1ccn2nc(/C=C/c3ccccc3)nc2c1
InChIInChI=1S/C15H11N3O2/c19-15(20)12-8-9-18-14(10-12)16-13(17-18)7-6-11-4-2-1-3-5-11/h1-10H,(H,19,20)/b7-6+
InChIKeyIRDWIOFEANUHEA-VOTSOKGWSA-N
XLogP2.60
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-phenylethenyl]-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid?
The IUPAC name of 2-[(E)-2-phenylethenyl]-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid (CID 83965742) is 2-[(E)-2-phenylethenyl]-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid.
What is the SMILES notation for 2-[(E)-2-phenylethenyl]-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid?
The canonical SMILES for 2-[(E)-2-phenylethenyl]-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid is O=C(O)c1ccn2nc(/C=C/c3ccccc3)nc2c1.
What is the InChIKey of 2-[(E)-2-phenylethenyl]-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid?
The InChIKey is IRDWIOFEANUHEA-VOTSOKGWSA-N. The full InChI is InChI=1S/C15H11N3O2/c19-15(20)12-8-9-18-14(10-12)16-13(17-18)7-6-11-4-2-1-3-5-11/h1-10H,(H,19,20)/b7-6+.
What are the key properties of 2-[(E)-2-phenylethenyl]-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid?
2-[(E)-2-phenylethenyl]-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid has a molecular weight of 265.27 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-phenylethenyl]-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid is sourced from PubChem (CID 83965742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).