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

C19H15F6N3O2 — CID 17344461

IUPAC3-[(4-methoxyphenyl)methyl]-4-phenyl-6,6-bis(trifluoromethyl)-1H-1,3,5-triazin-2-one
SMILESCOc1ccc(CN2C(=O)NC(C(F)(F)F)(C(F)(F)F)N=C2c2ccccc2)cc1
InChIInChI=1S/C19H15F6N3O2/c1-30-14-9-7-12(8-10-14)11-28-15(13-5-3-2-4-6-13)26-17(18(20,21)22,19(23,24)25)27-16(28)29/h2-10H,11H2,1H3,(H,27,29)
InChIKeyAHRYAOPWJIPNGD-UHFFFAOYSA-N
MW431.34 g/mol
LogP4.49
Rot. Bonds4

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

3-[(4-methoxyphenyl)methyl]-4-phenyl-6,6-bis(trifluoromethyl)-1H-1,3,5-triazin-2-one (PubChem CID 17344461) has the molecular formula C19H15F6N3O2 and a molecular weight of 431.34 g/mol. Its IUPAC name is 3-[(4-methoxyphenyl)methyl]-4-phenyl-6,6-bis(trifluoromethyl)-1H-1,3,5-triazin-2-one.

Molecular Properties

Compound Name3-[(4-methoxyphenyl)methyl]-4-phenyl-6,6-bis(trifluoromethyl)-1H-1,3,5-triazin-2-one
PubChem CID17344461
Molecular FormulaC19H15F6N3O2
Molecular Weight431.34 g/mol
Exact Mass431.11
IUPAC Name3-[(4-methoxyphenyl)methyl]-4-phenyl-6,6-bis(trifluoromethyl)-1H-1,3,5-triazin-2-one
SMILESCOc1ccc(CN2C(=O)NC(C(F)(F)F)(C(F)(F)F)N=C2c2ccccc2)cc1
InChIInChI=1S/C19H15F6N3O2/c1-30-14-9-7-12(8-10-14)11-28-15(13-5-3-2-4-6-13)26-17(18(20,21)22,19(23,24)25)27-16(28)29/h2-10H,11H2,1H3,(H,27,29)
InChIKeyAHRYAOPWJIPNGD-UHFFFAOYSA-N
XLogP4.49
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.34
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-tert-butyl-N-[1-[(4-methoxyphenyl)methyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzamide
CID 46502796
3,4,5-trimethoxy-N-[1-[(4-methoxyphenyl)methyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzamide
CID 17344473
5-ethoxy-3-[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)imidazolidine-2,4-dione
CID 3236822
(5S)-3-[(4-fluorophenyl)methyl]-5-hydroxy-2-phenyl-5-(trifluoromethyl)imidazol-4-one
CID 7623321
1-benzyl-2,6-diphenyl-4,4-bis(trifluoromethyl)-1,3,5-triazine
CID 17344391
N-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3-phenylpropanamide
CID 41129843
N-[(4S)-1-[(4-methoxyphenyl)methyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3-phenylpropanamide
CID 41129844
(4R)-6-chloro-1-[(4-methoxyphenyl)methyl]-4-(1,1,2,2,2-pentafluoroethyl)-4-phenyl-3H-quinazolin-2-one
CID 132570835
ethyl N-[(4S)-1-[(4-fluorophenyl)methyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]carbamate
CID 29021418
3-[(4-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 130201562
3-methoxy-N-[1-[(4-methoxyphenyl)methyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
CID 3815407
3-[(4-methoxyphenyl)methyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 16577297

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxyphenyl)methyl]-4-phenyl-6,6-bis(trifluoromethyl)-1H-1,3,5-triazin-2-one?
The IUPAC name of 3-[(4-methoxyphenyl)methyl]-4-phenyl-6,6-bis(trifluoromethyl)-1H-1,3,5-triazin-2-one (CID 17344461) is 3-[(4-methoxyphenyl)methyl]-4-phenyl-6,6-bis(trifluoromethyl)-1H-1,3,5-triazin-2-one.
What is the SMILES notation for 3-[(4-methoxyphenyl)methyl]-4-phenyl-6,6-bis(trifluoromethyl)-1H-1,3,5-triazin-2-one?
The canonical SMILES for 3-[(4-methoxyphenyl)methyl]-4-phenyl-6,6-bis(trifluoromethyl)-1H-1,3,5-triazin-2-one is COc1ccc(CN2C(=O)NC(C(F)(F)F)(C(F)(F)F)N=C2c2ccccc2)cc1.
What is the InChIKey of 3-[(4-methoxyphenyl)methyl]-4-phenyl-6,6-bis(trifluoromethyl)-1H-1,3,5-triazin-2-one?
The InChIKey is AHRYAOPWJIPNGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F6N3O2/c1-30-14-9-7-12(8-10-14)11-28-15(13-5-3-2-4-6-13)26-17(18(20,21)22,19(23,24)25)27-16(28)29/h2-10H,11H2,1H3,(H,27,29).
What are the key properties of 3-[(4-methoxyphenyl)methyl]-4-phenyl-6,6-bis(trifluoromethyl)-1H-1,3,5-triazin-2-one?
3-[(4-methoxyphenyl)methyl]-4-phenyl-6,6-bis(trifluoromethyl)-1H-1,3,5-triazin-2-one has a molecular weight of 431.34 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxyphenyl)methyl]-4-phenyl-6,6-bis(trifluoromethyl)-1H-1,3,5-triazin-2-one is sourced from PubChem (CID 17344461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).