[2-(trifluoromethoxy)-5-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methanol

C14H8F6N4O2 — CID 134543622

IUPAC[2-(trifluoromethoxy)-5-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methanol
SMILESOCc1cc(-c2ccc3nnc(C(F)(F)F)n3n2)ccc1OC(F)(F)F
InChIInChI=1S/C14H8F6N4O2/c15-13(16,17)12-22-21-11-4-2-9(23-24(11)12)7-1-3-10(8(5-7)6-25)26-14(18,19)20/h1-5,25H,6H2
InChIKeyMHBZTIKMJFIZPM-UHFFFAOYSA-N
MW378.23 g/mol
LogP3.20
Rot. Bonds3

About [2-(trifluoromethoxy)-5-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methanol

[2-(trifluoromethoxy)-5-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methanol (PubChem CID 134543622) has the molecular formula C14H8F6N4O2 and a molecular weight of 378.23 g/mol. Its IUPAC name is [2-(trifluoromethoxy)-5-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methanol.

Molecular Properties

Compound Name[2-(trifluoromethoxy)-5-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methanol
PubChem CID134543622
Molecular FormulaC14H8F6N4O2
Molecular Weight378.23 g/mol
Exact Mass378.06
IUPAC Name[2-(trifluoromethoxy)-5-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methanol
SMILESOCc1cc(-c2ccc3nnc(C(F)(F)F)n3n2)ccc1OC(F)(F)F
InChIInChI=1S/C14H8F6N4O2/c15-13(16,17)12-22-21-11-4-2-9(23-24(11)12)7-1-3-10(8(5-7)6-25)26-14(18,19)20/h1-5,25H,6H2
InChIKeyMHBZTIKMJFIZPM-UHFFFAOYSA-N
XLogP3.20
TPSA72.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.23
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-(trifluoromethoxy)-5-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methanol 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 [2-(trifluoromethoxy)-5-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methanol?
The IUPAC name of [2-(trifluoromethoxy)-5-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methanol (CID 134543622) is [2-(trifluoromethoxy)-5-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methanol.
What is the SMILES notation for [2-(trifluoromethoxy)-5-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methanol?
The canonical SMILES for [2-(trifluoromethoxy)-5-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methanol is OCc1cc(-c2ccc3nnc(C(F)(F)F)n3n2)ccc1OC(F)(F)F.
What is the InChIKey of [2-(trifluoromethoxy)-5-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methanol?
The InChIKey is MHBZTIKMJFIZPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F6N4O2/c15-13(16,17)12-22-21-11-4-2-9(23-24(11)12)7-1-3-10(8(5-7)6-25)26-14(18,19)20/h1-5,25H,6H2.
What are the key properties of [2-(trifluoromethoxy)-5-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methanol?
[2-(trifluoromethoxy)-5-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methanol has a molecular weight of 378.23 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(trifluoromethoxy)-5-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methanol is sourced from PubChem (CID 134543622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).