3-(4-methoxyphenyl)-5-methyltriazolo[4,5-b]pyridine

C13H12N4O — CID 89432212

IUPAC3-(4-methoxyphenyl)-5-methyltriazolo[4,5-b]pyridine
SMILESCOc1ccc(-n2nnc3ccc(C)nc32)cc1
InChIInChI=1S/C13H12N4O/c1-9-3-8-12-13(14-9)17(16-15-12)10-4-6-11(18-2)7-5-10/h3-8H,1-2H3
InChIKeyLIQCYLPVHGQQDZ-UHFFFAOYSA-N
MW240.27 g/mol
LogP2.13
Rot. Bonds2

About 3-(4-methoxyphenyl)-5-methyltriazolo[4,5-b]pyridine

3-(4-methoxyphenyl)-5-methyltriazolo[4,5-b]pyridine (PubChem CID 89432212) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-5-methyltriazolo[4,5-b]pyridine.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-5-methyltriazolo[4,5-b]pyridine
PubChem CID89432212
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC Name3-(4-methoxyphenyl)-5-methyltriazolo[4,5-b]pyridine
SMILESCOc1ccc(-n2nnc3ccc(C)nc32)cc1
InChIInChI=1S/C13H12N4O/c1-9-3-8-12-13(14-9)17(16-15-12)10-4-6-11(18-2)7-5-10/h3-8H,1-2H3
InChIKeyLIQCYLPVHGQQDZ-UHFFFAOYSA-N
XLogP2.13
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(4-methoxyphenyl)-5-methyltriazolo[4,5-b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-5-methyltriazolo[4,5-b]pyridine?
The IUPAC name of 3-(4-methoxyphenyl)-5-methyltriazolo[4,5-b]pyridine (CID 89432212) is 3-(4-methoxyphenyl)-5-methyltriazolo[4,5-b]pyridine.
What is the SMILES notation for 3-(4-methoxyphenyl)-5-methyltriazolo[4,5-b]pyridine?
The canonical SMILES for 3-(4-methoxyphenyl)-5-methyltriazolo[4,5-b]pyridine is COc1ccc(-n2nnc3ccc(C)nc32)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-5-methyltriazolo[4,5-b]pyridine?
The InChIKey is LIQCYLPVHGQQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O/c1-9-3-8-12-13(14-9)17(16-15-12)10-4-6-11(18-2)7-5-10/h3-8H,1-2H3.
What are the key properties of 3-(4-methoxyphenyl)-5-methyltriazolo[4,5-b]pyridine?
3-(4-methoxyphenyl)-5-methyltriazolo[4,5-b]pyridine has a molecular weight of 240.27 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-5-methyltriazolo[4,5-b]pyridine is sourced from PubChem (CID 89432212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).