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

C19H24N4O3 — CID 135859607

IUPAC3-[(2-methoxyphenyl)methyl]-6-(3-oxo-3-piperidin-1-ylpropyl)-4H-1,2,4-triazin-5-one
SMILESCOc1ccccc1Cc1nnc(CCC(=O)N2CCCCC2)c(=O)[nH]1
InChIInChI=1S/C19H24N4O3/c1-26-16-8-4-3-7-14(16)13-17-20-19(25)15(21-22-17)9-10-18(24)23-11-5-2-6-12-23/h3-4,7-8H,2,5-6,9-13H2,1H3,(H,20,22,25)
InChIKeyOAIMDQGCDNJKFV-UHFFFAOYSA-N
MW356.43 g/mol
LogP1.71
Rot. Bonds6

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

3-[(2-methoxyphenyl)methyl]-6-(3-oxo-3-piperidin-1-ylpropyl)-4H-1,2,4-triazin-5-one (PubChem CID 135859607) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is 3-[(2-methoxyphenyl)methyl]-6-(3-oxo-3-piperidin-1-ylpropyl)-4H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name3-[(2-methoxyphenyl)methyl]-6-(3-oxo-3-piperidin-1-ylpropyl)-4H-1,2,4-triazin-5-one
PubChem CID135859607
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name3-[(2-methoxyphenyl)methyl]-6-(3-oxo-3-piperidin-1-ylpropyl)-4H-1,2,4-triazin-5-one
SMILESCOc1ccccc1Cc1nnc(CCC(=O)N2CCCCC2)c(=O)[nH]1
InChIInChI=1S/C19H24N4O3/c1-26-16-8-4-3-7-14(16)13-17-20-19(25)15(21-22-17)9-10-18(24)23-11-5-2-6-12-23/h3-4,7-8H,2,5-6,9-13H2,1H3,(H,20,22,25)
InChIKeyOAIMDQGCDNJKFV-UHFFFAOYSA-N
XLogP1.71
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

3-[3-[(2-methoxyphenyl)methyl]-5-oxo-4H-1,2,4-triazin-6-yl]-N-(2-methylpropyl)propanamide
CID 135872356
3-[3-[(2-methoxyphenyl)methyl]-5-oxo-4H-1,2,4-triazin-6-yl]-N-[(1S)-1-phenylethyl]propanamide
CID 136836985
3-[(3,4-dimethoxyphenyl)methyl]-6-(3-oxo-3-thiomorpholin-4-ylpropyl)-4H-1,2,4-triazin-5-one
CID 135872395
6-(3-oxo-3-pyrrolidin-1-ylpropyl)-3-phenyl-4H-1,2,4-triazin-5-one
CID 135872225
1-(1,4-diazepan-1-yl)-3-(2-methoxyphenyl)propan-1-one
CID 82090865
N-[3-(azepan-1-yl)-3-oxopropyl]-N-[(2-methoxyphenyl)methyl]methanesulfonamide
CID 113139575
methyl 4-[3-(2-methoxyphenyl)propanoyl]piperazine-1-carboxylate
CID 110365875
1-(azepan-1-yl)-3-(3-methoxyquinoxalin-2-yl)propan-1-one
CID 163338550
3-(2-methoxyphenyl)-1-(1,3-oxazinan-3-yl)propan-1-one
CID 110739649
3-(3-methoxyquinoxalin-2-yl)-1-piperidin-1-ylpropan-1-one
CID 6461182
1-(azepan-1-yl)-2-[2-(2-methoxyphenyl)ethylamino]ethanone
CID 109000634
N-[2-(azepan-1-yl)-2-oxoethyl]-N-[(2-methoxyphenyl)methyl]methanesulfonamide
CID 113151179

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methoxyphenyl)methyl]-6-(3-oxo-3-piperidin-1-ylpropyl)-4H-1,2,4-triazin-5-one?
The IUPAC name of 3-[(2-methoxyphenyl)methyl]-6-(3-oxo-3-piperidin-1-ylpropyl)-4H-1,2,4-triazin-5-one (CID 135859607) is 3-[(2-methoxyphenyl)methyl]-6-(3-oxo-3-piperidin-1-ylpropyl)-4H-1,2,4-triazin-5-one.
What is the SMILES notation for 3-[(2-methoxyphenyl)methyl]-6-(3-oxo-3-piperidin-1-ylpropyl)-4H-1,2,4-triazin-5-one?
The canonical SMILES for 3-[(2-methoxyphenyl)methyl]-6-(3-oxo-3-piperidin-1-ylpropyl)-4H-1,2,4-triazin-5-one is COc1ccccc1Cc1nnc(CCC(=O)N2CCCCC2)c(=O)[nH]1.
What is the InChIKey of 3-[(2-methoxyphenyl)methyl]-6-(3-oxo-3-piperidin-1-ylpropyl)-4H-1,2,4-triazin-5-one?
The InChIKey is OAIMDQGCDNJKFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-26-16-8-4-3-7-14(16)13-17-20-19(25)15(21-22-17)9-10-18(24)23-11-5-2-6-12-23/h3-4,7-8H,2,5-6,9-13H2,1H3,(H,20,22,25).
What are the key properties of 3-[(2-methoxyphenyl)methyl]-6-(3-oxo-3-piperidin-1-ylpropyl)-4H-1,2,4-triazin-5-one?
3-[(2-methoxyphenyl)methyl]-6-(3-oxo-3-piperidin-1-ylpropyl)-4H-1,2,4-triazin-5-one has a molecular weight of 356.43 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methoxyphenyl)methyl]-6-(3-oxo-3-piperidin-1-ylpropyl)-4H-1,2,4-triazin-5-one is sourced from PubChem (CID 135859607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).