3-acetyl-1-(4-methoxyphenyl)-5-propan-2-yl-2,5-dihydro-1,2,4-triazin-6-one

C15H19N3O3 — CID 540549

IUPAC3-acetyl-1-(4-methoxyphenyl)-5-propan-2-yl-2,5-dihydro-1,2,4-triazin-6-one
SMILESCOc1ccc(N2NC(C(C)=O)=NC(C(C)C)C2=O)cc1
InChIInChI=1S/C15H19N3O3/c1-9(2)13-15(20)18(17-14(16-13)10(3)19)11-5-7-12(21-4)8-6-11/h5-9,13H,1-4H3,(H,16,17)
InChIKeyMDDBKRDLZOUQLP-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.56
Rot. Bonds4

About 3-acetyl-1-(4-methoxyphenyl)-5-propan-2-yl-2,5-dihydro-1,2,4-triazin-6-one

3-acetyl-1-(4-methoxyphenyl)-5-propan-2-yl-2,5-dihydro-1,2,4-triazin-6-one (PubChem CID 540549) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is 3-acetyl-1-(4-methoxyphenyl)-5-propan-2-yl-2,5-dihydro-1,2,4-triazin-6-one.

Molecular Properties

Compound Name3-acetyl-1-(4-methoxyphenyl)-5-propan-2-yl-2,5-dihydro-1,2,4-triazin-6-one
PubChem CID540549
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Name3-acetyl-1-(4-methoxyphenyl)-5-propan-2-yl-2,5-dihydro-1,2,4-triazin-6-one
SMILESCOc1ccc(N2NC(C(C)=O)=NC(C(C)C)C2=O)cc1
InChIInChI=1S/C15H19N3O3/c1-9(2)13-15(20)18(17-14(16-13)10(3)19)11-5-7-12(21-4)8-6-11/h5-9,13H,1-4H3,(H,16,17)
InChIKeyMDDBKRDLZOUQLP-UHFFFAOYSA-N
XLogP1.56
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-acetyl-1-(4-bromophenyl)-5-phenyl-2,5-dihydro-1,2,4-triazin-6-one
CID 540852
2-(4-methoxyphenyl)-5-propan-2-ylpyrazolidin-3-one
CID 105494571
3-(4-methoxyphenyl)-4-oxothiadiazolidine-5-carboxylic acid
CID 82372046
(5R)-3-[4-[(4-methoxyphenyl)methyl]piperazine-1-carbonyl]-5-methyl-1-phenyl-2,5-dihydro-1,2,4-triazin-6-one
CID 39950771
N-[1-(4-methoxyphenyl)cyclopentyl]-5-methyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide
CID 60617884
3-acetyl-1-(4-methoxyphenyl)pyrrolidine-2,4-dione
CID 18926731
N-[1-(4-methoxyphenyl)-2-methylpropyl]-1-(4-methylphenyl)-6-oxo-2,5-dihydro-1,2,4-triazine-3-carboxamide
CID 55622090
ethyl 1-(4-methoxyphenyl)-4,5-dioxopyrazolidine-3-carboxylate
CID 86584642
(3S)-1-(4-methoxyphenyl)-3-propan-2-ylpyrrolidine-2,5-dione
CID 102380691
(3S,4R)-3-hydroxy-1,4-bis(4-methoxyphenyl)azetidin-2-one
CID 11392395
[(1R)-1-[(2R,3R)-2-(hydroxymethyl)-1-(4-methoxyphenyl)-4-oxoazetidin-3-yl]ethyl] acetate
CID 10968351
ethyl (2S,3S)-1-(4-methoxyphenyl)-4-oxo-3-propan-2-ylazetidine-2-carboxylate
CID 11162120

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-1-(4-methoxyphenyl)-5-propan-2-yl-2,5-dihydro-1,2,4-triazin-6-one?
The IUPAC name of 3-acetyl-1-(4-methoxyphenyl)-5-propan-2-yl-2,5-dihydro-1,2,4-triazin-6-one (CID 540549) is 3-acetyl-1-(4-methoxyphenyl)-5-propan-2-yl-2,5-dihydro-1,2,4-triazin-6-one.
What is the SMILES notation for 3-acetyl-1-(4-methoxyphenyl)-5-propan-2-yl-2,5-dihydro-1,2,4-triazin-6-one?
The canonical SMILES for 3-acetyl-1-(4-methoxyphenyl)-5-propan-2-yl-2,5-dihydro-1,2,4-triazin-6-one is COc1ccc(N2NC(C(C)=O)=NC(C(C)C)C2=O)cc1.
What is the InChIKey of 3-acetyl-1-(4-methoxyphenyl)-5-propan-2-yl-2,5-dihydro-1,2,4-triazin-6-one?
The InChIKey is MDDBKRDLZOUQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-9(2)13-15(20)18(17-14(16-13)10(3)19)11-5-7-12(21-4)8-6-11/h5-9,13H,1-4H3,(H,16,17).
What are the key properties of 3-acetyl-1-(4-methoxyphenyl)-5-propan-2-yl-2,5-dihydro-1,2,4-triazin-6-one?
3-acetyl-1-(4-methoxyphenyl)-5-propan-2-yl-2,5-dihydro-1,2,4-triazin-6-one has a molecular weight of 289.34 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-1-(4-methoxyphenyl)-5-propan-2-yl-2,5-dihydro-1,2,4-triazin-6-one is sourced from PubChem (CID 540549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).