1-ethyl-6-(ethylamino)-3-[3-(trifluoromethyl)phenyl]-1,3,5-triazinane-2,4-dione

C14H17F3N4O2 — CID 21400273

IUPAC1-ethyl-6-(ethylamino)-3-[3-(trifluoromethyl)phenyl]-1,3,5-triazinane-2,4-dione
SMILESCCNC1NC(=O)N(c2cccc(C(F)(F)F)c2)C(=O)N1CC
InChIInChI=1S/C14H17F3N4O2/c1-3-18-11-19-12(22)21(13(23)20(11)4-2)10-7-5-6-9(8-10)14(15,16)17/h5-8,11,18H,3-4H2,1-2H3,(H,19,22)
InChIKeyKBLBFMUIWUYQHY-UHFFFAOYSA-N
MW330.31 g/mol
LogP2.57
Rot. Bonds4

About 1-ethyl-6-(ethylamino)-3-[3-(trifluoromethyl)phenyl]-1,3,5-triazinane-2,4-dione

1-ethyl-6-(ethylamino)-3-[3-(trifluoromethyl)phenyl]-1,3,5-triazinane-2,4-dione (PubChem CID 21400273) has the molecular formula C14H17F3N4O2 and a molecular weight of 330.31 g/mol. Its IUPAC name is 1-ethyl-6-(ethylamino)-3-[3-(trifluoromethyl)phenyl]-1,3,5-triazinane-2,4-dione.

Molecular Properties

Compound Name1-ethyl-6-(ethylamino)-3-[3-(trifluoromethyl)phenyl]-1,3,5-triazinane-2,4-dione
PubChem CID21400273
Molecular FormulaC14H17F3N4O2
Molecular Weight330.31 g/mol
Exact Mass330.13
IUPAC Name1-ethyl-6-(ethylamino)-3-[3-(trifluoromethyl)phenyl]-1,3,5-triazinane-2,4-dione
SMILESCCNC1NC(=O)N(c2cccc(C(F)(F)F)c2)C(=O)N1CC
InChIInChI=1S/C14H17F3N4O2/c1-3-18-11-19-12(22)21(13(23)20(11)4-2)10-7-5-6-9(8-10)14(15,16)17/h5-8,11,18H,3-4H2,1-2H3,(H,19,22)
InChIKeyKBLBFMUIWUYQHY-UHFFFAOYSA-N
XLogP2.57
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.31
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethyl-3-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
CID 61314233
5-(2-methoxyethyl)-3-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
CID 62478434
N-ethyl-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-amine
CID 43315146
(4S)-4-(4-cyanophenyl)-3-ethyl-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-4H-pyrimidine-5-carboxylic acid
CID 68660058
3,4,4-trimethyl-5-sulfanylidene-1-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
CID 57067232
(2S)-3-ethyl-2-[1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]-1,3-thiazolidin-4-one
CID 99964964
5-acetyl-1-ethyl-6-methyl-4-[3-(trifluoromethyl)phenyl]-1,3-diazinan-2-one
CID 73324828
2,8-dimethyl-5,11-bis[3-(trifluoromethyl)phenyl]-5,11-diaza-2,8-diarsatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-diene-4,6,10,12-tetrone
CID 102195126
(1S,2R,7R)-4-[3-(trifluoromethyl)phenyl]-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
CID 69106201
(3aR,7aR)-5,6-dimethyl-2-[3-(trifluoromethyl)phenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 695187
6-(hydroxymethyl)-3-[3-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 115009972
3-methyl-5-methylidene-1-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
CID 10400913

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-(ethylamino)-3-[3-(trifluoromethyl)phenyl]-1,3,5-triazinane-2,4-dione?
The IUPAC name of 1-ethyl-6-(ethylamino)-3-[3-(trifluoromethyl)phenyl]-1,3,5-triazinane-2,4-dione (CID 21400273) is 1-ethyl-6-(ethylamino)-3-[3-(trifluoromethyl)phenyl]-1,3,5-triazinane-2,4-dione.
What is the SMILES notation for 1-ethyl-6-(ethylamino)-3-[3-(trifluoromethyl)phenyl]-1,3,5-triazinane-2,4-dione?
The canonical SMILES for 1-ethyl-6-(ethylamino)-3-[3-(trifluoromethyl)phenyl]-1,3,5-triazinane-2,4-dione is CCNC1NC(=O)N(c2cccc(C(F)(F)F)c2)C(=O)N1CC.
What is the InChIKey of 1-ethyl-6-(ethylamino)-3-[3-(trifluoromethyl)phenyl]-1,3,5-triazinane-2,4-dione?
The InChIKey is KBLBFMUIWUYQHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N4O2/c1-3-18-11-19-12(22)21(13(23)20(11)4-2)10-7-5-6-9(8-10)14(15,16)17/h5-8,11,18H,3-4H2,1-2H3,(H,19,22).
What are the key properties of 1-ethyl-6-(ethylamino)-3-[3-(trifluoromethyl)phenyl]-1,3,5-triazinane-2,4-dione?
1-ethyl-6-(ethylamino)-3-[3-(trifluoromethyl)phenyl]-1,3,5-triazinane-2,4-dione has a molecular weight of 330.31 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-(ethylamino)-3-[3-(trifluoromethyl)phenyl]-1,3,5-triazinane-2,4-dione is sourced from PubChem (CID 21400273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).