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

C6H2ClF3N4 — CID 613657

IUPAC6-chloro-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESFC(F)(F)c1nnc2ccc(Cl)nn12
InChIInChI=1S/C6H2ClF3N4/c7-3-1-2-4-11-12-5(6(8,9)10)14(4)13-3/h1-2H
InChIKeyIJESFQCCOFNOQG-UHFFFAOYSA-N
MW222.56 g/mol
LogP1.80
Rot. Bonds

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

6-chloro-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 613657) has the molecular formula C6H2ClF3N4 and a molecular weight of 222.56 g/mol. Its IUPAC name is 6-chloro-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-chloro-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID613657
Molecular FormulaC6H2ClF3N4
Molecular Weight222.56 g/mol
Exact Mass221.99
IUPAC Name6-chloro-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESFC(F)(F)c1nnc2ccc(Cl)nn12
InChIInChI=1S/C6H2ClF3N4/c7-3-1-2-4-11-12-5(6(8,9)10)14(4)13-3/h1-2H
InChIKeyIJESFQCCOFNOQG-UHFFFAOYSA-N
XLogP1.80
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.56
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-chloro-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine (CID 613657) is 6-chloro-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-chloro-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-chloro-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine is FC(F)(F)c1nnc2ccc(Cl)nn12.
What is the InChIKey of 6-chloro-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is IJESFQCCOFNOQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2ClF3N4/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-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
6-chloro-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 222.56 g/mol, XLogP of 1.80, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 613657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).