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

C17H20N4O2 — CID 135868782

IUPAC6-(3-oxo-3-piperidin-1-ylpropyl)-3-phenyl-4H-1,2,4-triazin-5-one
SMILESO=C(CCc1nnc(-c2ccccc2)[nH]c1=O)N1CCCCC1
InChIInChI=1S/C17H20N4O2/c22-15(21-11-5-2-6-12-21)10-9-14-17(23)18-16(20-19-14)13-7-3-1-4-8-13/h1,3-4,7-8H,2,5-6,9-12H2,(H,18,20,23)
InChIKeyIRKNSGWUEVPDFU-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.78
Rot. Bonds4

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

6-(3-oxo-3-piperidin-1-ylpropyl)-3-phenyl-4H-1,2,4-triazin-5-one (PubChem CID 135868782) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 6-(3-oxo-3-piperidin-1-ylpropyl)-3-phenyl-4H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name6-(3-oxo-3-piperidin-1-ylpropyl)-3-phenyl-4H-1,2,4-triazin-5-one
PubChem CID135868782
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name6-(3-oxo-3-piperidin-1-ylpropyl)-3-phenyl-4H-1,2,4-triazin-5-one
SMILESO=C(CCc1nnc(-c2ccccc2)[nH]c1=O)N1CCCCC1
InChIInChI=1S/C17H20N4O2/c22-15(21-11-5-2-6-12-21)10-9-14-17(23)18-16(20-19-14)13-7-3-1-4-8-13/h1,3-4,7-8H,2,5-6,9-12H2,(H,18,20,23)
InChIKeyIRKNSGWUEVPDFU-UHFFFAOYSA-N
XLogP1.78
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-phenyl-6-(2-phenylvinyl)-1,2,4-triazin-5(2H)-one
CID 135445594
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-oxo-3-piperidin-1-ylpropyl)-3-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazin-5-one
CID 135872208
6-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-3-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazin-5-one
CID 135872209

Frequently Asked Questions

What is the IUPAC name of 6-(3-oxo-3-piperidin-1-ylpropyl)-3-phenyl-4H-1,2,4-triazin-5-one?
The IUPAC name of 6-(3-oxo-3-piperidin-1-ylpropyl)-3-phenyl-4H-1,2,4-triazin-5-one (CID 135868782) is 6-(3-oxo-3-piperidin-1-ylpropyl)-3-phenyl-4H-1,2,4-triazin-5-one.
What is the SMILES notation for 6-(3-oxo-3-piperidin-1-ylpropyl)-3-phenyl-4H-1,2,4-triazin-5-one?
The canonical SMILES for 6-(3-oxo-3-piperidin-1-ylpropyl)-3-phenyl-4H-1,2,4-triazin-5-one is O=C(CCc1nnc(-c2ccccc2)[nH]c1=O)N1CCCCC1.
What is the InChIKey of 6-(3-oxo-3-piperidin-1-ylpropyl)-3-phenyl-4H-1,2,4-triazin-5-one?
The InChIKey is IRKNSGWUEVPDFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c22-15(21-11-5-2-6-12-21)10-9-14-17(23)18-16(20-19-14)13-7-3-1-4-8-13/h1,3-4,7-8H,2,5-6,9-12H2,(H,18,20,23).
What are the key properties of 6-(3-oxo-3-piperidin-1-ylpropyl)-3-phenyl-4H-1,2,4-triazin-5-one?
6-(3-oxo-3-piperidin-1-ylpropyl)-3-phenyl-4H-1,2,4-triazin-5-one has a molecular weight of 312.37 g/mol, XLogP of 1.78, 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-phenyl-4H-1,2,4-triazin-5-one is sourced from PubChem (CID 135868782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).