6-(2,6-dimethylphenyl)-4-[2-methyl-4-(trifluoromethyl)phenyl]-1H-1,3,5-triazin-2-one

C19H16F3N3O — CID 136964769

IUPAC6-(2,6-dimethylphenyl)-4-[2-methyl-4-(trifluoromethyl)phenyl]-1H-1,3,5-triazin-2-one
SMILESCc1cc(C(F)(F)F)ccc1-c1nc(-c2c(C)cccc2C)[nH]c(=O)n1
InChIInChI=1S/C19H16F3N3O/c1-10-5-4-6-11(2)15(10)17-23-16(24-18(26)25-17)14-8-7-13(9-12(14)3)19(20,21)22/h4-9H,1-3H3,(H,23,24,25,26)
InChIKeyVGJZUXVTMXLTHZ-UHFFFAOYSA-N
MW359.35 g/mol
LogP4.44
Rot. Bonds2

About 6-(2,6-dimethylphenyl)-4-[2-methyl-4-(trifluoromethyl)phenyl]-1H-1,3,5-triazin-2-one

6-(2,6-dimethylphenyl)-4-[2-methyl-4-(trifluoromethyl)phenyl]-1H-1,3,5-triazin-2-one (PubChem CID 136964769) has the molecular formula C19H16F3N3O and a molecular weight of 359.35 g/mol. Its IUPAC name is 6-(2,6-dimethylphenyl)-4-[2-methyl-4-(trifluoromethyl)phenyl]-1H-1,3,5-triazin-2-one.

Molecular Properties

Compound Name6-(2,6-dimethylphenyl)-4-[2-methyl-4-(trifluoromethyl)phenyl]-1H-1,3,5-triazin-2-one
PubChem CID136964769
Molecular FormulaC19H16F3N3O
Molecular Weight359.35 g/mol
Exact Mass359.12
IUPAC Name6-(2,6-dimethylphenyl)-4-[2-methyl-4-(trifluoromethyl)phenyl]-1H-1,3,5-triazin-2-one
SMILESCc1cc(C(F)(F)F)ccc1-c1nc(-c2c(C)cccc2C)[nH]c(=O)n1
InChIInChI=1S/C19H16F3N3O/c1-10-5-4-6-11(2)15(10)17-23-16(24-18(26)25-17)14-8-7-13(9-12(14)3)19(20,21)22/h4-9H,1-3H3,(H,23,24,25,26)
InChIKeyVGJZUXVTMXLTHZ-UHFFFAOYSA-N
XLogP4.44
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.35
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-(2,6-dimethylphenyl)-4-[2-methyl-4-(trifluoromethyl)phenyl]-1H-1,3,5-triazin-2-one 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-(2,6-dimethylphenyl)-4-[2-methyl-4-(trifluoromethyl)phenyl]-1H-1,3,5-triazin-2-one?
The IUPAC name of 6-(2,6-dimethylphenyl)-4-[2-methyl-4-(trifluoromethyl)phenyl]-1H-1,3,5-triazin-2-one (CID 136964769) is 6-(2,6-dimethylphenyl)-4-[2-methyl-4-(trifluoromethyl)phenyl]-1H-1,3,5-triazin-2-one.
What is the SMILES notation for 6-(2,6-dimethylphenyl)-4-[2-methyl-4-(trifluoromethyl)phenyl]-1H-1,3,5-triazin-2-one?
The canonical SMILES for 6-(2,6-dimethylphenyl)-4-[2-methyl-4-(trifluoromethyl)phenyl]-1H-1,3,5-triazin-2-one is Cc1cc(C(F)(F)F)ccc1-c1nc(-c2c(C)cccc2C)[nH]c(=O)n1.
What is the InChIKey of 6-(2,6-dimethylphenyl)-4-[2-methyl-4-(trifluoromethyl)phenyl]-1H-1,3,5-triazin-2-one?
The InChIKey is VGJZUXVTMXLTHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O/c1-10-5-4-6-11(2)15(10)17-23-16(24-18(26)25-17)14-8-7-13(9-12(14)3)19(20,21)22/h4-9H,1-3H3,(H,23,24,25,26).
What are the key properties of 6-(2,6-dimethylphenyl)-4-[2-methyl-4-(trifluoromethyl)phenyl]-1H-1,3,5-triazin-2-one?
6-(2,6-dimethylphenyl)-4-[2-methyl-4-(trifluoromethyl)phenyl]-1H-1,3,5-triazin-2-one has a molecular weight of 359.35 g/mol, XLogP of 4.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-dimethylphenyl)-4-[2-methyl-4-(trifluoromethyl)phenyl]-1H-1,3,5-triazin-2-one is sourced from PubChem (CID 136964769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).