2-(6,8-diphenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)phenol

C23H16N4O — CID 135502687

IUPAC2-(6,8-diphenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)phenol
SMILESOc1ccccc1-c1nnc2c(-c3ccccc3)cc(-c3ccccc3)nn12
InChIInChI=1S/C23H16N4O/c28-21-14-8-7-13-18(21)22-24-25-23-19(16-9-3-1-4-10-16)15-20(26-27(22)23)17-11-5-2-6-12-17/h1-15,28H
InChIKeySDLWJGYBURGQTO-UHFFFAOYSA-N
MW364.41 g/mol
LogP4.83
Rot. Bonds3

About 2-(6,8-diphenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)phenol

2-(6,8-diphenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)phenol (PubChem CID 135502687) has the molecular formula C23H16N4O and a molecular weight of 364.41 g/mol. Its IUPAC name is 2-(6,8-diphenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)phenol.

Molecular Properties

Compound Name2-(6,8-diphenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)phenol
PubChem CID135502687
Molecular FormulaC23H16N4O
Molecular Weight364.41 g/mol
Exact Mass364.13
IUPAC Name2-(6,8-diphenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)phenol
SMILESOc1ccccc1-c1nnc2c(-c3ccccc3)cc(-c3ccccc3)nn12
InChIInChI=1S/C23H16N4O/c28-21-14-8-7-13-18(21)22-24-25-23-19(16-9-3-1-4-10-16)15-20(26-27(22)23)17-11-5-2-6-12-17/h1-15,28H
InChIKeySDLWJGYBURGQTO-UHFFFAOYSA-N
XLogP4.83
TPSA63.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(6,8-diphenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)phenol?
The IUPAC name of 2-(6,8-diphenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)phenol (CID 135502687) is 2-(6,8-diphenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)phenol.
What is the SMILES notation for 2-(6,8-diphenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)phenol?
The canonical SMILES for 2-(6,8-diphenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)phenol is Oc1ccccc1-c1nnc2c(-c3ccccc3)cc(-c3ccccc3)nn12.
What is the InChIKey of 2-(6,8-diphenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)phenol?
The InChIKey is SDLWJGYBURGQTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N4O/c28-21-14-8-7-13-18(21)22-24-25-23-19(16-9-3-1-4-10-16)15-20(26-27(22)23)17-11-5-2-6-12-17/h1-15,28H.
What are the key properties of 2-(6,8-diphenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)phenol?
2-(6,8-diphenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)phenol has a molecular weight of 364.41 g/mol, XLogP of 4.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,8-diphenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)phenol is sourced from PubChem (CID 135502687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).