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

C19H16F3N3O — CID 136964687

IUPAC6-(5-ethyl-2-methylphenyl)-4-[4-(trifluoromethyl)phenyl]-1H-1,3,5-triazin-2-one
SMILESCCc1ccc(C)c(-c2nc(-c3ccc(C(F)(F)F)cc3)nc(=O)[nH]2)c1
InChIInChI=1S/C19H16F3N3O/c1-3-12-5-4-11(2)15(10-12)17-23-16(24-18(26)25-17)13-6-8-14(9-7-13)19(20,21)22/h4-10H,3H2,1-2H3,(H,23,24,25,26)
InChIKeyHDMMJIGQGYEAJX-UHFFFAOYSA-N
MW359.35 g/mol
LogP4.39
Rot. Bonds3

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

6-(5-ethyl-2-methylphenyl)-4-[4-(trifluoromethyl)phenyl]-1H-1,3,5-triazin-2-one (PubChem CID 136964687) has the molecular formula C19H16F3N3O and a molecular weight of 359.35 g/mol. Its IUPAC name is 6-(5-ethyl-2-methylphenyl)-4-[4-(trifluoromethyl)phenyl]-1H-1,3,5-triazin-2-one.

Molecular Properties

Compound Name6-(5-ethyl-2-methylphenyl)-4-[4-(trifluoromethyl)phenyl]-1H-1,3,5-triazin-2-one
PubChem CID136964687
Molecular FormulaC19H16F3N3O
Molecular Weight359.35 g/mol
Exact Mass359.12
IUPAC Name6-(5-ethyl-2-methylphenyl)-4-[4-(trifluoromethyl)phenyl]-1H-1,3,5-triazin-2-one
SMILESCCc1ccc(C)c(-c2nc(-c3ccc(C(F)(F)F)cc3)nc(=O)[nH]2)c1
InChIInChI=1S/C19H16F3N3O/c1-3-12-5-4-11(2)15(10-12)17-23-16(24-18(26)25-17)13-6-8-14(9-7-13)19(20,21)22/h4-10H,3H2,1-2H3,(H,23,24,25,26)
InChIKeyHDMMJIGQGYEAJX-UHFFFAOYSA-N
XLogP4.39
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.35
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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
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-[2-(4-Butylphenyl)ethyl]-3-(trifluoromethyl)benzenecarboximidamide
CID 132023296
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
4-[amino(trifluoromethyl)amino]-6-(2,6-diethylphenyl)-1H-1,3,5-triazin-2-one
CID 135609635
6-(2,6-dimethylphenyl)-4-[2-(trifluoromethyl)hydrazinyl]-1H-1,3,5-triazin-2-one
CID 136099015

Frequently Asked Questions

What is the IUPAC name of 6-(5-ethyl-2-methylphenyl)-4-[4-(trifluoromethyl)phenyl]-1H-1,3,5-triazin-2-one?
The IUPAC name of 6-(5-ethyl-2-methylphenyl)-4-[4-(trifluoromethyl)phenyl]-1H-1,3,5-triazin-2-one (CID 136964687) is 6-(5-ethyl-2-methylphenyl)-4-[4-(trifluoromethyl)phenyl]-1H-1,3,5-triazin-2-one.
What is the SMILES notation for 6-(5-ethyl-2-methylphenyl)-4-[4-(trifluoromethyl)phenyl]-1H-1,3,5-triazin-2-one?
The canonical SMILES for 6-(5-ethyl-2-methylphenyl)-4-[4-(trifluoromethyl)phenyl]-1H-1,3,5-triazin-2-one is CCc1ccc(C)c(-c2nc(-c3ccc(C(F)(F)F)cc3)nc(=O)[nH]2)c1.
What is the InChIKey of 6-(5-ethyl-2-methylphenyl)-4-[4-(trifluoromethyl)phenyl]-1H-1,3,5-triazin-2-one?
The InChIKey is HDMMJIGQGYEAJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O/c1-3-12-5-4-11(2)15(10-12)17-23-16(24-18(26)25-17)13-6-8-14(9-7-13)19(20,21)22/h4-10H,3H2,1-2H3,(H,23,24,25,26).
What are the key properties of 6-(5-ethyl-2-methylphenyl)-4-[4-(trifluoromethyl)phenyl]-1H-1,3,5-triazin-2-one?
6-(5-ethyl-2-methylphenyl)-4-[4-(trifluoromethyl)phenyl]-1H-1,3,5-triazin-2-one has a molecular weight of 359.35 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-ethyl-2-methylphenyl)-4-[4-(trifluoromethyl)phenyl]-1H-1,3,5-triazin-2-one is sourced from PubChem (CID 136964687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).