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

C13H6F6N4O — CID 24605030

IUPAC3-(trifluoromethyl)-6-[4-(trifluoromethyl)phenoxy]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESFC(F)(F)c1ccc(Oc2ccc3nnc(C(F)(F)F)n3n2)cc1
InChIInChI=1S/C13H6F6N4O/c14-12(15,16)7-1-3-8(4-2-7)24-10-6-5-9-20-21-11(13(17,18)19)23(9)22-10/h1-6H
InChIKeyOGALMRIKKDUCAB-UHFFFAOYSA-N
MW348.21 g/mol
LogP3.95
Rot. Bonds2

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

3-(trifluoromethyl)-6-[4-(trifluoromethyl)phenoxy]-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 24605030) has the molecular formula C13H6F6N4O and a molecular weight of 348.21 g/mol. Its IUPAC name is 3-(trifluoromethyl)-6-[4-(trifluoromethyl)phenoxy]-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name3-(trifluoromethyl)-6-[4-(trifluoromethyl)phenoxy]-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID24605030
Molecular FormulaC13H6F6N4O
Molecular Weight348.21 g/mol
Exact Mass348.04
IUPAC Name3-(trifluoromethyl)-6-[4-(trifluoromethyl)phenoxy]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESFC(F)(F)c1ccc(Oc2ccc3nnc(C(F)(F)F)n3n2)cc1
InChIInChI=1S/C13H6F6N4O/c14-12(15,16)7-1-3-8(4-2-7)24-10-6-5-9-20-21-11(13(17,18)19)23(9)22-10/h1-6H
InChIKeyOGALMRIKKDUCAB-UHFFFAOYSA-N
XLogP3.95
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.21
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(trifluoromethyl)-6-[4-(trifluoromethyl)phenoxy]-[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 3-(trifluoromethyl)-6-[4-(trifluoromethyl)phenoxy]-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 3-(trifluoromethyl)-6-[4-(trifluoromethyl)phenoxy]-[1,2,4]triazolo[4,3-b]pyridazine (CID 24605030) is 3-(trifluoromethyl)-6-[4-(trifluoromethyl)phenoxy]-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 3-(trifluoromethyl)-6-[4-(trifluoromethyl)phenoxy]-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 3-(trifluoromethyl)-6-[4-(trifluoromethyl)phenoxy]-[1,2,4]triazolo[4,3-b]pyridazine is FC(F)(F)c1ccc(Oc2ccc3nnc(C(F)(F)F)n3n2)cc1.
What is the InChIKey of 3-(trifluoromethyl)-6-[4-(trifluoromethyl)phenoxy]-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is OGALMRIKKDUCAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6F6N4O/c14-12(15,16)7-1-3-8(4-2-7)24-10-6-5-9-20-21-11(13(17,18)19)23(9)22-10/h1-6H.
What are the key properties of 3-(trifluoromethyl)-6-[4-(trifluoromethyl)phenoxy]-[1,2,4]triazolo[4,3-b]pyridazine?
3-(trifluoromethyl)-6-[4-(trifluoromethyl)phenoxy]-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 348.21 g/mol, XLogP of 3.95, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)-6-[4-(trifluoromethyl)phenoxy]-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 24605030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).