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

C14H13N3O2 — CID 4730548

IUPAC3-(2,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCOc1ccc(-c2nnc3ccccn23)c(OC)c1
InChIInChI=1S/C14H13N3O2/c1-18-10-6-7-11(12(9-10)19-2)14-16-15-13-5-3-4-8-17(13)14/h3-9H,1-2H3
InChIKeyIVEJGEAGWUQAHU-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.41
Rot. Bonds3

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

3-(2,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 4730548) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 3-(2,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-(2,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID4730548
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name3-(2,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCOc1ccc(-c2nnc3ccccn23)c(OC)c1
InChIInChI=1S/C14H13N3O2/c1-18-10-6-7-11(12(9-10)19-2)14-16-15-13-5-3-4-8-17(13)14/h3-9H,1-2H3
InChIKeyIVEJGEAGWUQAHU-UHFFFAOYSA-N
XLogP2.41
TPSA48.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-(2,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine (CID 4730548) is 3-(2,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-(2,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-(2,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine is COc1ccc(-c2nnc3ccccn23)c(OC)c1.
What is the InChIKey of 3-(2,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is IVEJGEAGWUQAHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c1-18-10-6-7-11(12(9-10)19-2)14-16-15-13-5-3-4-8-17(13)14/h3-9H,1-2H3.
What are the key properties of 3-(2,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine?
3-(2,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 255.28 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 4730548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).