6-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-3-phenyl-4H-1,2,4-triazin-5-one

C18H22N4O2 — CID 135868784

IUPAC6-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-3-phenyl-4H-1,2,4-triazin-5-one
SMILESCC1CCN(C(=O)CCc2nnc(-c3ccccc3)[nH]c2=O)CC1
InChIInChI=1S/C18H22N4O2/c1-13-9-11-22(12-10-13)16(23)8-7-15-18(24)19-17(21-20-15)14-5-3-2-4-6-14/h2-6,13H,7-12H2,1H3,(H,19,21,24)
InChIKeyUYNIYXJLOVYAPY-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.02
Rot. Bonds4

About 6-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-3-phenyl-4H-1,2,4-triazin-5-one

6-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-3-phenyl-4H-1,2,4-triazin-5-one (PubChem CID 135868784) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 6-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-3-phenyl-4H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name6-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-3-phenyl-4H-1,2,4-triazin-5-one
PubChem CID135868784
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name6-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-3-phenyl-4H-1,2,4-triazin-5-one
SMILESCC1CCN(C(=O)CCc2nnc(-c3ccccc3)[nH]c2=O)CC1
InChIInChI=1S/C18H22N4O2/c1-13-9-11-22(12-10-13)16(23)8-7-15-18(24)19-17(21-20-15)14-5-3-2-4-6-14/h2-6,13H,7-12H2,1H3,(H,19,21,24)
InChIKeyUYNIYXJLOVYAPY-UHFFFAOYSA-N
XLogP2.02
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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-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
N-methyl-3-[5-oxo-3-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazin-6-yl]-N-propan-2-ylpropanamide
CID 135872214

Frequently Asked Questions

What is the IUPAC name of 6-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-3-phenyl-4H-1,2,4-triazin-5-one?
The IUPAC name of 6-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-3-phenyl-4H-1,2,4-triazin-5-one (CID 135868784) is 6-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-3-phenyl-4H-1,2,4-triazin-5-one.
What is the SMILES notation for 6-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-3-phenyl-4H-1,2,4-triazin-5-one?
The canonical SMILES for 6-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-3-phenyl-4H-1,2,4-triazin-5-one is CC1CCN(C(=O)CCc2nnc(-c3ccccc3)[nH]c2=O)CC1.
What is the InChIKey of 6-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-3-phenyl-4H-1,2,4-triazin-5-one?
The InChIKey is UYNIYXJLOVYAPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-13-9-11-22(12-10-13)16(23)8-7-15-18(24)19-17(21-20-15)14-5-3-2-4-6-14/h2-6,13H,7-12H2,1H3,(H,19,21,24).
What are the key properties of 6-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-3-phenyl-4H-1,2,4-triazin-5-one?
6-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-3-phenyl-4H-1,2,4-triazin-5-one has a molecular weight of 326.40 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-3-phenyl-4H-1,2,4-triazin-5-one is sourced from PubChem (CID 135868784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).