3-acetyl-5-hydroxy-1-[2-(4-methylpiperazin-1-yl)phenyl]pyridazin-4-one

C17H20N4O3 — CID 122448879

IUPAC3-acetyl-5-hydroxy-1-[2-(4-methylpiperazin-1-yl)phenyl]pyridazin-4-one
SMILESCC(=O)c1nn(-c2ccccc2N2CCN(C)CC2)cc(O)c1=O
InChIInChI=1S/C17H20N4O3/c1-12(22)16-17(24)15(23)11-21(18-16)14-6-4-3-5-13(14)20-9-7-19(2)8-10-20/h3-6,11,23H,7-10H2,1-2H3
InChIKeyVXOWFLKSKKSJMR-UHFFFAOYSA-N
MW328.37 g/mol
LogP0.89
Rot. Bonds3

About 3-acetyl-5-hydroxy-1-[2-(4-methylpiperazin-1-yl)phenyl]pyridazin-4-one

3-acetyl-5-hydroxy-1-[2-(4-methylpiperazin-1-yl)phenyl]pyridazin-4-one (PubChem CID 122448879) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is 3-acetyl-5-hydroxy-1-[2-(4-methylpiperazin-1-yl)phenyl]pyridazin-4-one.

Molecular Properties

Compound Name3-acetyl-5-hydroxy-1-[2-(4-methylpiperazin-1-yl)phenyl]pyridazin-4-one
PubChem CID122448879
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name3-acetyl-5-hydroxy-1-[2-(4-methylpiperazin-1-yl)phenyl]pyridazin-4-one
SMILESCC(=O)c1nn(-c2ccccc2N2CCN(C)CC2)cc(O)c1=O
InChIInChI=1S/C17H20N4O3/c1-12(22)16-17(24)15(23)11-21(18-16)14-6-4-3-5-13(14)20-9-7-19(2)8-10-20/h3-6,11,23H,7-10H2,1-2H3
InChIKeyVXOWFLKSKKSJMR-UHFFFAOYSA-N
XLogP0.89
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethanol;ethyl 1-[2-(4-methylpiperazin-1-yl)phenyl]-4-oxo-5-phenylmethoxypyridazine-3-carboxylate;5-hydroxy-N-methyl-1-[2-(4-methylpiperazin-1-yl)phenyl]-4-oxopyridazine-3-carboxamide;methanamine;methanol;N-methyl-1-[2-(4-methylpiperazin-1-yl)phenyl]-4-oxo-5-phenylmethoxypyridazine-3-carboxamide
CID 158276101
1-[2-(4-methylpiperazin-1-yl)phenyl]ethanone
CID 21404567
3-acetyl-5-hydroxy-1-(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)pyridazin-4-one
CID 122448914
2-(4-methylpiperazin-1-yl)benzoyl chloride;hydrochloride
CID 174711988
5-hydroxy-1-[2-(1H-indazol-4-yl)phenyl]-4-oxopyridazine-3-carboxylic acid
CID 139351039
[1-(2-ethylphenyl)-4-hydroxypyrazol-3-yl]-piperidin-1-ylmethanone
CID 118741514
3-acetyl-1-[2-fluoro-3-(1-methylpyrazol-4-yl)phenyl]-5-methylpyridazin-4-one
CID 58072487
3-acetyl-1-(2,3-difluoro-4-morpholin-4-ylphenyl)-5-methoxypyridazin-4-one
CID 58072486
(Z)-3-[2-(4-methylpiperazin-1-yl)phenyl]but-2-enoic acid
CID 21187011
1-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanone
CID 56692641
ethyl 1-[2-(benzenesulfonyl)phenyl]-5-hydroxy-4-oxopyridazine-3-carboxylate
CID 123929243
1-ethyl-3-[4-(2-hydroxyphenyl)piperazin-1-yl]pyrazin-2-one
CID 133447156

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-5-hydroxy-1-[2-(4-methylpiperazin-1-yl)phenyl]pyridazin-4-one?
The IUPAC name of 3-acetyl-5-hydroxy-1-[2-(4-methylpiperazin-1-yl)phenyl]pyridazin-4-one (CID 122448879) is 3-acetyl-5-hydroxy-1-[2-(4-methylpiperazin-1-yl)phenyl]pyridazin-4-one.
What is the SMILES notation for 3-acetyl-5-hydroxy-1-[2-(4-methylpiperazin-1-yl)phenyl]pyridazin-4-one?
The canonical SMILES for 3-acetyl-5-hydroxy-1-[2-(4-methylpiperazin-1-yl)phenyl]pyridazin-4-one is CC(=O)c1nn(-c2ccccc2N2CCN(C)CC2)cc(O)c1=O.
What is the InChIKey of 3-acetyl-5-hydroxy-1-[2-(4-methylpiperazin-1-yl)phenyl]pyridazin-4-one?
The InChIKey is VXOWFLKSKKSJMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-12(22)16-17(24)15(23)11-21(18-16)14-6-4-3-5-13(14)20-9-7-19(2)8-10-20/h3-6,11,23H,7-10H2,1-2H3.
What are the key properties of 3-acetyl-5-hydroxy-1-[2-(4-methylpiperazin-1-yl)phenyl]pyridazin-4-one?
3-acetyl-5-hydroxy-1-[2-(4-methylpiperazin-1-yl)phenyl]pyridazin-4-one has a molecular weight of 328.37 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-5-hydroxy-1-[2-(4-methylpiperazin-1-yl)phenyl]pyridazin-4-one is sourced from PubChem (CID 122448879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).