6-chloro-3-(2,6-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine

C11H5Cl3N4 — CID 706624

IUPAC6-chloro-3-(2,6-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESClc1ccc2nnc(-c3c(Cl)cccc3Cl)n2n1
InChIInChI=1S/C11H5Cl3N4/c12-6-2-1-3-7(13)10(6)11-16-15-9-5-4-8(14)17-18(9)11/h1-5H
InChIKeyFEENJQIBAPFZMH-UHFFFAOYSA-N
MW299.55 g/mol
LogP3.75
Rot. Bonds1

About 6-chloro-3-(2,6-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine

6-chloro-3-(2,6-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 706624) has the molecular formula C11H5Cl3N4 and a molecular weight of 299.55 g/mol. Its IUPAC name is 6-chloro-3-(2,6-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-chloro-3-(2,6-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID706624
Molecular FormulaC11H5Cl3N4
Molecular Weight299.55 g/mol
Exact Mass297.96
IUPAC Name6-chloro-3-(2,6-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESClc1ccc2nnc(-c3c(Cl)cccc3Cl)n2n1
InChIInChI=1S/C11H5Cl3N4/c12-6-2-1-3-7(13)10(6)11-16-15-9-5-4-8(14)17-18(9)11/h1-5H
InChIKeyFEENJQIBAPFZMH-UHFFFAOYSA-N
XLogP3.75
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.55
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(2,6-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-chloro-3-(2,6-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine (CID 706624) is 6-chloro-3-(2,6-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-chloro-3-(2,6-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-chloro-3-(2,6-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine is Clc1ccc2nnc(-c3c(Cl)cccc3Cl)n2n1.
What is the InChIKey of 6-chloro-3-(2,6-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is FEENJQIBAPFZMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5Cl3N4/c12-6-2-1-3-7(13)10(6)11-16-15-9-5-4-8(14)17-18(9)11/h1-5H.
What are the key properties of 6-chloro-3-(2,6-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine?
6-chloro-3-(2,6-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 299.55 g/mol, XLogP of 3.75, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(2,6-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 706624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).