3,4-di(pyridazin-4-yl)-5-(trifluoromethyl)phenol

C15H9F3N4O — CID 175599349

IUPAC3,4-di(pyridazin-4-yl)-5-(trifluoromethyl)phenol
SMILESOc1cc(-c2ccnnc2)c(-c2ccnnc2)c(C(F)(F)F)c1
InChIInChI=1S/C15H9F3N4O/c16-15(17,18)13-6-11(23)5-12(9-1-3-19-21-7-9)14(13)10-2-4-20-22-8-10/h1-8,23H
InChIKeyVBPQUBFGAYCUAW-UHFFFAOYSA-N
MW318.26 g/mol
LogP3.33
Rot. Bonds2

About 3,4-di(pyridazin-4-yl)-5-(trifluoromethyl)phenol

3,4-di(pyridazin-4-yl)-5-(trifluoromethyl)phenol (PubChem CID 175599349) has the molecular formula C15H9F3N4O and a molecular weight of 318.26 g/mol. Its IUPAC name is 3,4-di(pyridazin-4-yl)-5-(trifluoromethyl)phenol.

Molecular Properties

Compound Name3,4-di(pyridazin-4-yl)-5-(trifluoromethyl)phenol
PubChem CID175599349
Molecular FormulaC15H9F3N4O
Molecular Weight318.26 g/mol
Exact Mass318.07
IUPAC Name3,4-di(pyridazin-4-yl)-5-(trifluoromethyl)phenol
SMILESOc1cc(-c2ccnnc2)c(-c2ccnnc2)c(C(F)(F)F)c1
InChIInChI=1S/C15H9F3N4O/c16-15(17,18)13-6-11(23)5-12(9-1-3-19-21-7-9)14(13)10-2-4-20-22-8-10/h1-8,23H
InChIKeyVBPQUBFGAYCUAW-UHFFFAOYSA-N
XLogP3.33
TPSA71.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.26
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3,4-di(pyridazin-4-yl)-5-(trifluoromethyl)phenol 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 3,4-di(pyridazin-4-yl)-5-(trifluoromethyl)phenol?
The IUPAC name of 3,4-di(pyridazin-4-yl)-5-(trifluoromethyl)phenol (CID 175599349) is 3,4-di(pyridazin-4-yl)-5-(trifluoromethyl)phenol.
What is the SMILES notation for 3,4-di(pyridazin-4-yl)-5-(trifluoromethyl)phenol?
The canonical SMILES for 3,4-di(pyridazin-4-yl)-5-(trifluoromethyl)phenol is Oc1cc(-c2ccnnc2)c(-c2ccnnc2)c(C(F)(F)F)c1.
What is the InChIKey of 3,4-di(pyridazin-4-yl)-5-(trifluoromethyl)phenol?
The InChIKey is VBPQUBFGAYCUAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F3N4O/c16-15(17,18)13-6-11(23)5-12(9-1-3-19-21-7-9)14(13)10-2-4-20-22-8-10/h1-8,23H.
What are the key properties of 3,4-di(pyridazin-4-yl)-5-(trifluoromethyl)phenol?
3,4-di(pyridazin-4-yl)-5-(trifluoromethyl)phenol has a molecular weight of 318.26 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-di(pyridazin-4-yl)-5-(trifluoromethyl)phenol is sourced from PubChem (CID 175599349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).