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

C6H2Cl2F2N4 — CID 1489114

IUPAC6-chloro-3-[chloro(difluoro)methyl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESFC(F)(Cl)c1nnc2ccc(Cl)nn12
InChIInChI=1S/C6H2Cl2F2N4/c7-3-1-2-4-11-12-5(6(8,9)10)14(4)13-3/h1-2H
InChIKeyLJXFPGTUUSLVHF-UHFFFAOYSA-N
MW239.01 g/mol
LogP2.07
Rot. Bonds1

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

6-chloro-3-[chloro(difluoro)methyl]-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 1489114) has the molecular formula C6H2Cl2F2N4 and a molecular weight of 239.01 g/mol. Its IUPAC name is 6-chloro-3-[chloro(difluoro)methyl]-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-chloro-3-[chloro(difluoro)methyl]-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID1489114
Molecular FormulaC6H2Cl2F2N4
Molecular Weight239.01 g/mol
Exact Mass237.96
IUPAC Name6-chloro-3-[chloro(difluoro)methyl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESFC(F)(Cl)c1nnc2ccc(Cl)nn12
InChIInChI=1S/C6H2Cl2F2N4/c7-3-1-2-4-11-12-5(6(8,9)10)14(4)13-3/h1-2H
InChIKeyLJXFPGTUUSLVHF-UHFFFAOYSA-N
XLogP2.07
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.01
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[chloro(difluoro)methyl]-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-chloro-3-[chloro(difluoro)methyl]-[1,2,4]triazolo[4,3-b]pyridazine (CID 1489114) is 6-chloro-3-[chloro(difluoro)methyl]-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-chloro-3-[chloro(difluoro)methyl]-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-chloro-3-[chloro(difluoro)methyl]-[1,2,4]triazolo[4,3-b]pyridazine is FC(F)(Cl)c1nnc2ccc(Cl)nn12.
What is the InChIKey of 6-chloro-3-[chloro(difluoro)methyl]-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is LJXFPGTUUSLVHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2Cl2F2N4/c7-3-1-2-4-11-12-5(6(8,9)10)14(4)13-3/h1-2H.
What are the key properties of 6-chloro-3-[chloro(difluoro)methyl]-[1,2,4]triazolo[4,3-b]pyridazine?
6-chloro-3-[chloro(difluoro)methyl]-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 239.01 g/mol, XLogP of 2.07, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[chloro(difluoro)methyl]-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 1489114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).