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

C14H11ClF2N4O — CID 133424531

IUPAC6-(4-chloro-3-ethylphenoxy)-3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCCc1cc(Oc2ccc3nnc(C(F)F)n3n2)ccc1Cl
InChIInChI=1S/C14H11ClF2N4O/c1-2-8-7-9(3-4-10(8)15)22-12-6-5-11-18-19-14(13(16)17)21(11)20-12/h3-7,13H,2H2,1H3
InChIKeyREBILBLJOXPLKR-UHFFFAOYSA-N
MW324.72 g/mol
LogP4.07
Rot. Bonds4

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

6-(4-chloro-3-ethylphenoxy)-3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 133424531) has the molecular formula C14H11ClF2N4O and a molecular weight of 324.72 g/mol. Its IUPAC name is 6-(4-chloro-3-ethylphenoxy)-3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-(4-chloro-3-ethylphenoxy)-3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID133424531
Molecular FormulaC14H11ClF2N4O
Molecular Weight324.72 g/mol
Exact Mass324.06
IUPAC Name6-(4-chloro-3-ethylphenoxy)-3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCCc1cc(Oc2ccc3nnc(C(F)F)n3n2)ccc1Cl
InChIInChI=1S/C14H11ClF2N4O/c1-2-8-7-9(3-4-10(8)15)22-12-6-5-11-18-19-14(13(16)17)21(11)20-12/h3-7,13H,2H2,1H3
InChIKeyREBILBLJOXPLKR-UHFFFAOYSA-N
XLogP4.07
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.72
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-(4-chloro-3-ethylphenoxy)-3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(4-chloro-3-ethylphenoxy)-3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-(4-chloro-3-ethylphenoxy)-3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine (CID 133424531) is 6-(4-chloro-3-ethylphenoxy)-3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-(4-chloro-3-ethylphenoxy)-3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-(4-chloro-3-ethylphenoxy)-3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine is CCc1cc(Oc2ccc3nnc(C(F)F)n3n2)ccc1Cl.
What is the InChIKey of 6-(4-chloro-3-ethylphenoxy)-3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is REBILBLJOXPLKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF2N4O/c1-2-8-7-9(3-4-10(8)15)22-12-6-5-11-18-19-14(13(16)17)21(11)20-12/h3-7,13H,2H2,1H3.
What are the key properties of 6-(4-chloro-3-ethylphenoxy)-3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
6-(4-chloro-3-ethylphenoxy)-3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 324.72 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chloro-3-ethylphenoxy)-3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 133424531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).