6-(2-chlorophenyl)-7-(4-chlorophenyl)-2-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-one

C23H14Cl2N4O — CID 69222506

IUPAC6-(2-chlorophenyl)-7-(4-chlorophenyl)-2-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESO=c1n(-c2ccccc2)nc2cc(-c3ccc(Cl)cc3)c(-c3ccccc3Cl)nn12
InChIInChI=1S/C23H14Cl2N4O/c24-16-12-10-15(11-13-16)19-14-21-26-28(17-6-2-1-3-7-17)23(30)29(21)27-22(19)18-8-4-5-9-20(18)25/h1-14H
InChIKeyWVBMRMYHDBBDJE-UHFFFAOYSA-N
MW433.30 g/mol
LogP5.52
Rot. Bonds3

About 6-(2-chlorophenyl)-7-(4-chlorophenyl)-2-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-one

6-(2-chlorophenyl)-7-(4-chlorophenyl)-2-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-one (PubChem CID 69222506) has the molecular formula C23H14Cl2N4O and a molecular weight of 433.30 g/mol. Its IUPAC name is 6-(2-chlorophenyl)-7-(4-chlorophenyl)-2-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-one.

Molecular Properties

Compound Name6-(2-chlorophenyl)-7-(4-chlorophenyl)-2-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-one
PubChem CID69222506
Molecular FormulaC23H14Cl2N4O
Molecular Weight433.30 g/mol
Exact Mass432.05
IUPAC Name6-(2-chlorophenyl)-7-(4-chlorophenyl)-2-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESO=c1n(-c2ccccc2)nc2cc(-c3ccc(Cl)cc3)c(-c3ccccc3Cl)nn12
InChIInChI=1S/C23H14Cl2N4O/c24-16-12-10-15(11-13-16)19-14-21-26-28(17-6-2-1-3-7-17)23(30)29(21)27-22(19)18-8-4-5-9-20(18)25/h1-14H
InChIKeyWVBMRMYHDBBDJE-UHFFFAOYSA-N
XLogP5.52
TPSA52.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.30
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2-chlorophenyl)-7-(4-chlorophenyl)-2-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The IUPAC name of 6-(2-chlorophenyl)-7-(4-chlorophenyl)-2-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-one (CID 69222506) is 6-(2-chlorophenyl)-7-(4-chlorophenyl)-2-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-one.
What is the SMILES notation for 6-(2-chlorophenyl)-7-(4-chlorophenyl)-2-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The canonical SMILES for 6-(2-chlorophenyl)-7-(4-chlorophenyl)-2-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-one is O=c1n(-c2ccccc2)nc2cc(-c3ccc(Cl)cc3)c(-c3ccccc3Cl)nn12.
What is the InChIKey of 6-(2-chlorophenyl)-7-(4-chlorophenyl)-2-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The InChIKey is WVBMRMYHDBBDJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14Cl2N4O/c24-16-12-10-15(11-13-16)19-14-21-26-28(17-6-2-1-3-7-17)23(30)29(21)27-22(19)18-8-4-5-9-20(18)25/h1-14H.
What are the key properties of 6-(2-chlorophenyl)-7-(4-chlorophenyl)-2-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
6-(2-chlorophenyl)-7-(4-chlorophenyl)-2-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-one has a molecular weight of 433.30 g/mol, XLogP of 5.52, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chlorophenyl)-7-(4-chlorophenyl)-2-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-one is sourced from PubChem (CID 69222506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).