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

C18H19F3N4O2 — CID 135872208

IUPAC6-(3-oxo-3-piperidin-1-ylpropyl)-3-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazin-5-one
SMILESO=C(CCc1nnc(-c2cccc(C(F)(F)F)c2)[nH]c1=O)N1CCCCC1
InChIInChI=1S/C18H19F3N4O2/c19-18(20,21)13-6-4-5-12(11-13)16-22-17(27)14(23-24-16)7-8-15(26)25-9-2-1-3-10-25/h4-6,11H,1-3,7-10H2,(H,22,24,27)
InChIKeyUCYNVTXGFAGERY-UHFFFAOYSA-N
MW380.37 g/mol
LogP2.80
Rot. Bonds4

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

6-(3-oxo-3-piperidin-1-ylpropyl)-3-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazin-5-one (PubChem CID 135872208) has the molecular formula C18H19F3N4O2 and a molecular weight of 380.37 g/mol. Its IUPAC name is 6-(3-oxo-3-piperidin-1-ylpropyl)-3-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name6-(3-oxo-3-piperidin-1-ylpropyl)-3-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazin-5-one
PubChem CID135872208
Molecular FormulaC18H19F3N4O2
Molecular Weight380.37 g/mol
Exact Mass380.15
IUPAC Name6-(3-oxo-3-piperidin-1-ylpropyl)-3-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazin-5-one
SMILESO=C(CCc1nnc(-c2cccc(C(F)(F)F)c2)[nH]c1=O)N1CCCCC1
InChIInChI=1S/C18H19F3N4O2/c19-18(20,21)13-6-4-5-12(11-13)16-22-17(27)14(23-24-16)7-8-15(26)25-9-2-1-3-10-25/h4-6,11H,1-3,7-10H2,(H,22,24,27)
InChIKeyUCYNVTXGFAGERY-UHFFFAOYSA-N
XLogP2.80
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.37
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(3-oxo-3-piperidin-1-ylpropyl)-3-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazin-5-one with MolForge

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Related Compounds

3-(4-fluorophenyl)-6-(3-oxo-3-piperidin-1-ylpropyl)-4H-1,2,4-triazin-5-one
CID 135859485
3-(3-Fluorophenyl)-6-[3-oxo-3-(piperidin-1-YL)propyl]-2,5-dihydro-1,2,4-triazin-5-one
CID 135859637
N-cyclohexyl-3-[5-oxo-3-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazin-6-yl]propanamide
CID 135868765
N-cyclopropyl-3-[3-(3,4-difluorophenyl)-5-oxo-4H-1,2,4-triazin-6-yl]propanamide
CID 135868900
6-(3-oxo-3-piperidin-1-ylpropyl)-3-[[3-(trifluoromethyl)phenyl]methyl]-4H-1,2,4-triazin-5-one
CID 135868910
6-[3-(4-Methylpiperidin-1-YL)-3-oxopropyl]-3-{[3-(trifluoromethyl)phenyl]methyl}-2,5-dihydro-1,2,4-triazin-5-one
CID 135868914
3-(3-Fluorophenyl)-6-[3-(4-methylpiperidin-1-YL)-3-oxopropyl]-2,5-dihydro-1,2,4-triazin-5-one
CID 135868930
6-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]-3-(3-fluorophenyl)-4H-1,2,4-triazin-5-one
CID 135868932
3-(3-methylphenyl)-6-(3-oxo-3-piperidin-1-ylpropyl)-4H-1,2,4-triazin-5-one
CID 135868951
6-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-3-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazin-5-one
CID 135872209
N-methyl-3-[5-oxo-3-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazin-6-yl]-N-propan-2-ylpropanamide
CID 135872214
N-cyclohexyl-3-[3-(2-fluorophenyl)-5-oxo-4H-1,2,4-triazin-6-yl]propanamide
CID 135872238

Frequently Asked Questions

What is the IUPAC name of 6-(3-oxo-3-piperidin-1-ylpropyl)-3-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazin-5-one?
The IUPAC name of 6-(3-oxo-3-piperidin-1-ylpropyl)-3-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazin-5-one (CID 135872208) is 6-(3-oxo-3-piperidin-1-ylpropyl)-3-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazin-5-one.
What is the SMILES notation for 6-(3-oxo-3-piperidin-1-ylpropyl)-3-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazin-5-one?
The canonical SMILES for 6-(3-oxo-3-piperidin-1-ylpropyl)-3-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazin-5-one is O=C(CCc1nnc(-c2cccc(C(F)(F)F)c2)[nH]c1=O)N1CCCCC1.
What is the InChIKey of 6-(3-oxo-3-piperidin-1-ylpropyl)-3-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazin-5-one?
The InChIKey is UCYNVTXGFAGERY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N4O2/c19-18(20,21)13-6-4-5-12(11-13)16-22-17(27)14(23-24-16)7-8-15(26)25-9-2-1-3-10-25/h4-6,11H,1-3,7-10H2,(H,22,24,27).
What are the key properties of 6-(3-oxo-3-piperidin-1-ylpropyl)-3-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazin-5-one?
6-(3-oxo-3-piperidin-1-ylpropyl)-3-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazin-5-one has a molecular weight of 380.37 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-oxo-3-piperidin-1-ylpropyl)-3-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazin-5-one is sourced from PubChem (CID 135872208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).