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

C11H5Cl2FN4 — CID 674154

IUPAC6-chloro-3-(2-chloro-6-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESFc1cccc(Cl)c1-c1nnc2ccc(Cl)nn12
InChIInChI=1S/C11H5Cl2FN4/c12-6-2-1-3-7(14)10(6)11-16-15-9-5-4-8(13)17-18(9)11/h1-5H
InChIKeyFBLXNIDDXHSFDB-UHFFFAOYSA-N
MW283.09 g/mol
LogP3.24
Rot. Bonds1

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

6-chloro-3-(2-chloro-6-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 674154) has the molecular formula C11H5Cl2FN4 and a molecular weight of 283.09 g/mol. Its IUPAC name is 6-chloro-3-(2-chloro-6-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-chloro-3-(2-chloro-6-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID674154
Molecular FormulaC11H5Cl2FN4
Molecular Weight283.09 g/mol
Exact Mass281.99
IUPAC Name6-chloro-3-(2-chloro-6-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESFc1cccc(Cl)c1-c1nnc2ccc(Cl)nn12
InChIInChI=1S/C11H5Cl2FN4/c12-6-2-1-3-7(14)10(6)11-16-15-9-5-4-8(13)17-18(9)11/h1-5H
InChIKeyFBLXNIDDXHSFDB-UHFFFAOYSA-N
XLogP3.24
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.09
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-Chloro-6-fluorophenyl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 683376
6-Chloro-3-methyl-[1,2,4]triazolo[3,4-a]phthalazine
CID 748270
2-(4-Chlorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine
CID 738354
3-(4-Chlorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine
CID 753149
6-Chloro-3-trifluoromethyl-[1,2,4]triazolo[3,4-a]phthalazine
CID 1136914
6-Chloro-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 911462
5-(2,3-Dichlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 82556507
7-(4-Chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine
CID 3152515
6-Chloro-3-(2,6-dichloro-phenyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 706624
3-(2,6-Dichlorophenyl)-6-(4-morpholinyl)[1,2,4]triazolo[4,3-b]pyridazine
CID 1283104
3-(4-Chlorophenyl)-2,5-dimethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 2916290
6-(Azepan-1-yl)-3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 20877999

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(2-chloro-6-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-chloro-3-(2-chloro-6-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine (CID 674154) is 6-chloro-3-(2-chloro-6-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-chloro-3-(2-chloro-6-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-chloro-3-(2-chloro-6-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine is Fc1cccc(Cl)c1-c1nnc2ccc(Cl)nn12.
What is the InChIKey of 6-chloro-3-(2-chloro-6-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is FBLXNIDDXHSFDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5Cl2FN4/c12-6-2-1-3-7(14)10(6)11-16-15-9-5-4-8(13)17-18(9)11/h1-5H.
What are the key properties of 6-chloro-3-(2-chloro-6-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine?
6-chloro-3-(2-chloro-6-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 283.09 g/mol, XLogP of 3.24, 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-chloro-6-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 674154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).