3-methyl-2-[6-(methylideneamino)-5-(trifluoromethyl)pyridazin-3-yl]-5-(trifluoromethyl)phenol

C14H9F6N3O — CID 155305798

IUPAC3-methyl-2-[6-(methylideneamino)-5-(trifluoromethyl)pyridazin-3-yl]-5-(trifluoromethyl)phenol
SMILESC=Nc1nnc(-c2c(C)cc(C(F)(F)F)cc2O)cc1C(F)(F)F
InChIInChI=1S/C14H9F6N3O/c1-6-3-7(13(15,16)17)4-10(24)11(6)9-5-8(14(18,19)20)12(21-2)23-22-9/h3-5,24H,2H2,1H3
InChIKeyWFLHXXSOBCTKJE-UHFFFAOYSA-N
MW349.23 g/mol
LogP4.53
Rot. Bonds2

About 3-methyl-2-[6-(methylideneamino)-5-(trifluoromethyl)pyridazin-3-yl]-5-(trifluoromethyl)phenol

3-methyl-2-[6-(methylideneamino)-5-(trifluoromethyl)pyridazin-3-yl]-5-(trifluoromethyl)phenol (PubChem CID 155305798) has the molecular formula C14H9F6N3O and a molecular weight of 349.23 g/mol. Its IUPAC name is 3-methyl-2-[6-(methylideneamino)-5-(trifluoromethyl)pyridazin-3-yl]-5-(trifluoromethyl)phenol.

Molecular Properties

Compound Name3-methyl-2-[6-(methylideneamino)-5-(trifluoromethyl)pyridazin-3-yl]-5-(trifluoromethyl)phenol
PubChem CID155305798
Molecular FormulaC14H9F6N3O
Molecular Weight349.23 g/mol
Exact Mass349.06
IUPAC Name3-methyl-2-[6-(methylideneamino)-5-(trifluoromethyl)pyridazin-3-yl]-5-(trifluoromethyl)phenol
SMILESC=Nc1nnc(-c2c(C)cc(C(F)(F)F)cc2O)cc1C(F)(F)F
InChIInChI=1S/C14H9F6N3O/c1-6-3-7(13(15,16)17)4-10(24)11(6)9-5-8(14(18,19)20)12(21-2)23-22-9/h3-5,24H,2H2,1H3
InChIKeyWFLHXXSOBCTKJE-UHFFFAOYSA-N
XLogP4.53
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 3-methyl-2-[6-(methylideneamino)-5-(trifluoromethyl)pyridazin-3-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-methyl-2-[6-(methylideneamino)-5-(trifluoromethyl)pyridazin-3-yl]-5-(trifluoromethyl)phenol?
The IUPAC name of 3-methyl-2-[6-(methylideneamino)-5-(trifluoromethyl)pyridazin-3-yl]-5-(trifluoromethyl)phenol (CID 155305798) is 3-methyl-2-[6-(methylideneamino)-5-(trifluoromethyl)pyridazin-3-yl]-5-(trifluoromethyl)phenol.
What is the SMILES notation for 3-methyl-2-[6-(methylideneamino)-5-(trifluoromethyl)pyridazin-3-yl]-5-(trifluoromethyl)phenol?
The canonical SMILES for 3-methyl-2-[6-(methylideneamino)-5-(trifluoromethyl)pyridazin-3-yl]-5-(trifluoromethyl)phenol is C=Nc1nnc(-c2c(C)cc(C(F)(F)F)cc2O)cc1C(F)(F)F.
What is the InChIKey of 3-methyl-2-[6-(methylideneamino)-5-(trifluoromethyl)pyridazin-3-yl]-5-(trifluoromethyl)phenol?
The InChIKey is WFLHXXSOBCTKJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F6N3O/c1-6-3-7(13(15,16)17)4-10(24)11(6)9-5-8(14(18,19)20)12(21-2)23-22-9/h3-5,24H,2H2,1H3.
What are the key properties of 3-methyl-2-[6-(methylideneamino)-5-(trifluoromethyl)pyridazin-3-yl]-5-(trifluoromethyl)phenol?
3-methyl-2-[6-(methylideneamino)-5-(trifluoromethyl)pyridazin-3-yl]-5-(trifluoromethyl)phenol has a molecular weight of 349.23 g/mol, XLogP of 4.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[6-(methylideneamino)-5-(trifluoromethyl)pyridazin-3-yl]-5-(trifluoromethyl)phenol is sourced from PubChem (CID 155305798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).