6,8-diphenyl-[1,2,4]triazolo[4,3-b]pyridazine

C17H12N4 — CID 623397

IUPAC6,8-diphenyl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESc1ccc(-c2cc(-c3ccccc3)c3nncn3n2)cc1
InChIInChI=1S/C17H12N4/c1-3-7-13(8-4-1)15-11-16(14-9-5-2-6-10-14)20-21-12-18-19-17(15)21/h1-12H
InChIKeyCOTTUUYZJCGMPG-UHFFFAOYSA-N
MW272.31 g/mol
LogP3.46
Rot. Bonds2

About 6,8-diphenyl-[1,2,4]triazolo[4,3-b]pyridazine

6,8-diphenyl-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 623397) has the molecular formula C17H12N4 and a molecular weight of 272.31 g/mol. Its IUPAC name is 6,8-diphenyl-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6,8-diphenyl-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID623397
Molecular FormulaC17H12N4
Molecular Weight272.31 g/mol
Exact Mass272.11
IUPAC Name6,8-diphenyl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESc1ccc(-c2cc(-c3ccccc3)c3nncn3n2)cc1
InChIInChI=1S/C17H12N4/c1-3-7-13(8-4-1)15-11-16(14-9-5-2-6-10-14)20-21-12-18-19-17(15)21/h1-12H
InChIKeyCOTTUUYZJCGMPG-UHFFFAOYSA-N
XLogP3.46
TPSA43.08 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 ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6,8-diphenyl-[1,2,4]triazolo[4,3-b]pyridazine 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 6,8-diphenyl-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6,8-diphenyl-[1,2,4]triazolo[4,3-b]pyridazine (CID 623397) is 6,8-diphenyl-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6,8-diphenyl-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6,8-diphenyl-[1,2,4]triazolo[4,3-b]pyridazine is c1ccc(-c2cc(-c3ccccc3)c3nncn3n2)cc1.
What is the InChIKey of 6,8-diphenyl-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is COTTUUYZJCGMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4/c1-3-7-13(8-4-1)15-11-16(14-9-5-2-6-10-14)20-21-12-18-19-17(15)21/h1-12H.
What are the key properties of 6,8-diphenyl-[1,2,4]triazolo[4,3-b]pyridazine?
6,8-diphenyl-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 272.31 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-diphenyl-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 623397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).