3,5-diphenyltriazolo[4,5-b]pyridine

C17H12N4 — CID 12569850

IUPAC3,5-diphenyltriazolo[4,5-b]pyridine
SMILESc1ccc(-c2ccc3nnn(-c4ccccc4)c3n2)cc1
InChIInChI=1S/C17H12N4/c1-3-7-13(8-4-1)15-11-12-16-17(18-15)21(20-19-16)14-9-5-2-6-10-14/h1-12H
InChIKeyWDFKHTRHHUPMCG-UHFFFAOYSA-N
MW272.31 g/mol
LogP3.48
Rot. Bonds2

About 3,5-diphenyltriazolo[4,5-b]pyridine

3,5-diphenyltriazolo[4,5-b]pyridine (PubChem CID 12569850) has the molecular formula C17H12N4 and a molecular weight of 272.31 g/mol. Its IUPAC name is 3,5-diphenyltriazolo[4,5-b]pyridine.

Molecular Properties

Compound Name3,5-diphenyltriazolo[4,5-b]pyridine
PubChem CID12569850
Molecular FormulaC17H12N4
Molecular Weight272.31 g/mol
Exact Mass272.11
IUPAC Name3,5-diphenyltriazolo[4,5-b]pyridine
SMILESc1ccc(-c2ccc3nnn(-c4ccccc4)c3n2)cc1
InChIInChI=1S/C17H12N4/c1-3-7-13(8-4-1)15-11-12-16-17(18-15)21(20-19-16)14-9-5-2-6-10-14/h1-12H
InChIKeyWDFKHTRHHUPMCG-UHFFFAOYSA-N
XLogP3.48
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-diphenyltriazolo[4,5-b]pyridine?
The IUPAC name of 3,5-diphenyltriazolo[4,5-b]pyridine (CID 12569850) is 3,5-diphenyltriazolo[4,5-b]pyridine.
What is the SMILES notation for 3,5-diphenyltriazolo[4,5-b]pyridine?
The canonical SMILES for 3,5-diphenyltriazolo[4,5-b]pyridine is c1ccc(-c2ccc3nnn(-c4ccccc4)c3n2)cc1.
What is the InChIKey of 3,5-diphenyltriazolo[4,5-b]pyridine?
The InChIKey is WDFKHTRHHUPMCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4/c1-3-7-13(8-4-1)15-11-12-16-17(18-15)21(20-19-16)14-9-5-2-6-10-14/h1-12H.
What are the key properties of 3,5-diphenyltriazolo[4,5-b]pyridine?
3,5-diphenyltriazolo[4,5-b]pyridine has a molecular weight of 272.31 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diphenyltriazolo[4,5-b]pyridine is sourced from PubChem (CID 12569850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).