3-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine

C13H11N3O — CID 4730530

IUPAC3-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCOc1ccc(-c2nnc3ccccn23)cc1
InChIInChI=1S/C13H11N3O/c1-17-11-7-5-10(6-8-11)13-15-14-12-4-2-3-9-16(12)13/h2-9H,1H3
InChIKeySTBXJRZEOGTEBM-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.40
Rot. Bonds2

About 3-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine

3-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 4730530) has the molecular formula C13H11N3O and a molecular weight of 225.25 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID4730530
Molecular FormulaC13H11N3O
Molecular Weight225.25 g/mol
Exact Mass225.09
IUPAC Name3-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCOc1ccc(-c2nnc3ccccn23)cc1
InChIInChI=1S/C13H11N3O/c1-17-11-7-5-10(6-8-11)13-15-14-12-4-2-3-9-16(12)13/h2-9H,1H3
InChIKeySTBXJRZEOGTEBM-UHFFFAOYSA-N
XLogP2.40
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine (CID 4730530) is 3-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine is COc1ccc(-c2nnc3ccccn23)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is STBXJRZEOGTEBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O/c1-17-11-7-5-10(6-8-11)13-15-14-12-4-2-3-9-16(12)13/h2-9H,1H3.
What are the key properties of 3-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine?
3-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 225.25 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 4730530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).