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

C18H14F3N3O — CID 136964680

IUPAC6-(2,5-dimethylphenyl)-4-[4-(trifluoromethyl)phenyl]-1H-1,3,5-triazin-2-one
SMILESCc1ccc(C)c(-c2nc(-c3ccc(C(F)(F)F)cc3)nc(=O)[nH]2)c1
InChIInChI=1S/C18H14F3N3O/c1-10-3-4-11(2)14(9-10)16-22-15(23-17(25)24-16)12-5-7-13(8-6-12)18(19,20)21/h3-9H,1-2H3,(H,22,23,24,25)
InChIKeyLPKDBFZWXSGZMN-UHFFFAOYSA-N
MW345.32 g/mol
LogP4.13
Rot. Bonds2

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

6-(2,5-dimethylphenyl)-4-[4-(trifluoromethyl)phenyl]-1H-1,3,5-triazin-2-one (PubChem CID 136964680) has the molecular formula C18H14F3N3O and a molecular weight of 345.32 g/mol. Its IUPAC name is 6-(2,5-dimethylphenyl)-4-[4-(trifluoromethyl)phenyl]-1H-1,3,5-triazin-2-one.

Molecular Properties

Compound Name6-(2,5-dimethylphenyl)-4-[4-(trifluoromethyl)phenyl]-1H-1,3,5-triazin-2-one
PubChem CID136964680
Molecular FormulaC18H14F3N3O
Molecular Weight345.32 g/mol
Exact Mass345.11
IUPAC Name6-(2,5-dimethylphenyl)-4-[4-(trifluoromethyl)phenyl]-1H-1,3,5-triazin-2-one
SMILESCc1ccc(C)c(-c2nc(-c3ccc(C(F)(F)F)cc3)nc(=O)[nH]2)c1
InChIInChI=1S/C18H14F3N3O/c1-10-3-4-11(2)14(9-10)16-22-15(23-17(25)24-16)12-5-7-13(8-6-12)18(19,20)21/h3-9H,1-2H3,(H,22,23,24,25)
InChIKeyLPKDBFZWXSGZMN-UHFFFAOYSA-N
XLogP4.13
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.32
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,3,5-Triazin-2(1H)-one, 4,6-diphenyl-
CID 135427225
4,6-Bis(4-methylphenyl)-1,3,5-triazin-2(1H)-one
CID 135402212
4-(4-Methylphenyl)-6-(2,4-dimethylphenyl)-imino-4-trifluoromethyl-3,4-dihydro-1,3,5-triazino[2,1-a]-isoindol-2-one
CID 129740822
6-(4-methylphenyl)-4-phenyl-1H-1,3,5-triazin-2-one
CID 137286130
N-[[1-amino-3-phenyl-3-(trifluoromethyl)-4H-isoquinolin-6-yl]methyl]acetamide
CID 16730999
4-phenyl-6-[2-(trifluoromethyl)phenyl]-1H-pyrimidin-2-one
CID 20626317
2,3-diphenyl-N'-(trifluoromethyl)benzenecarboximidamide
CID 118916841
N'-[[4-(1,1-difluoroethyl)phenyl]methyl]-2,3-dimethylbenzenecarboximidamide
CID 123146985
N'-[[4-(1,1-difluoroethyl)phenyl]methyl]-2,5-dimethylbenzenecarboximidamide
CID 123871489
4-[amino(trifluoromethyl)amino]-6-(2-ethylphenyl)-1H-1,3,5-triazin-2-one
CID 135609582
4-[amino(trifluoromethyl)amino]-6-(2,6-dimethylphenyl)-1H-1,3,5-triazin-2-one
CID 135609606
4-[amino(trifluoromethyl)amino]-6-(2-methylphenyl)-1H-1,3,5-triazin-2-one
CID 135609633

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dimethylphenyl)-4-[4-(trifluoromethyl)phenyl]-1H-1,3,5-triazin-2-one?
The IUPAC name of 6-(2,5-dimethylphenyl)-4-[4-(trifluoromethyl)phenyl]-1H-1,3,5-triazin-2-one (CID 136964680) is 6-(2,5-dimethylphenyl)-4-[4-(trifluoromethyl)phenyl]-1H-1,3,5-triazin-2-one.
What is the SMILES notation for 6-(2,5-dimethylphenyl)-4-[4-(trifluoromethyl)phenyl]-1H-1,3,5-triazin-2-one?
The canonical SMILES for 6-(2,5-dimethylphenyl)-4-[4-(trifluoromethyl)phenyl]-1H-1,3,5-triazin-2-one is Cc1ccc(C)c(-c2nc(-c3ccc(C(F)(F)F)cc3)nc(=O)[nH]2)c1.
What is the InChIKey of 6-(2,5-dimethylphenyl)-4-[4-(trifluoromethyl)phenyl]-1H-1,3,5-triazin-2-one?
The InChIKey is LPKDBFZWXSGZMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O/c1-10-3-4-11(2)14(9-10)16-22-15(23-17(25)24-16)12-5-7-13(8-6-12)18(19,20)21/h3-9H,1-2H3,(H,22,23,24,25).
What are the key properties of 6-(2,5-dimethylphenyl)-4-[4-(trifluoromethyl)phenyl]-1H-1,3,5-triazin-2-one?
6-(2,5-dimethylphenyl)-4-[4-(trifluoromethyl)phenyl]-1H-1,3,5-triazin-2-one has a molecular weight of 345.32 g/mol, XLogP of 4.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dimethylphenyl)-4-[4-(trifluoromethyl)phenyl]-1H-1,3,5-triazin-2-one is sourced from PubChem (CID 136964680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).