3-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]phenyl]-4,5-dihydro-1H-pyridazin-6-one

C17H22N4O3 — CID 44514267

IUPAC3-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]phenyl]-4,5-dihydro-1H-pyridazin-6-one
SMILESCN1CCN(C(=O)COc2ccc(C3=NNC(=O)CC3)cc2)CC1
InChIInChI=1S/C17H22N4O3/c1-20-8-10-21(11-9-20)17(23)12-24-14-4-2-13(3-5-14)15-6-7-16(22)19-18-15/h2-5H,6-12H2,1H3,(H,19,22)
InChIKeyPSWOUFGBJUZWEK-UHFFFAOYSA-N
MW330.39 g/mol
LogP0.45
Rot. Bonds4

About 3-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]phenyl]-4,5-dihydro-1H-pyridazin-6-one

3-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]phenyl]-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 44514267) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is 3-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]phenyl]-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]phenyl]-4,5-dihydro-1H-pyridazin-6-one
PubChem CID44514267
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name3-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]phenyl]-4,5-dihydro-1H-pyridazin-6-one
SMILESCN1CCN(C(=O)COc2ccc(C3=NNC(=O)CC3)cc2)CC1
InChIInChI=1S/C17H22N4O3/c1-20-8-10-21(11-9-20)17(23)12-24-14-4-2-13(3-5-14)15-6-7-16(22)19-18-15/h2-5H,6-12H2,1H3,(H,19,22)
InChIKeyPSWOUFGBJUZWEK-UHFFFAOYSA-N
XLogP0.45
TPSA74.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]phenyl]-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 3-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]phenyl]-4,5-dihydro-1H-pyridazin-6-one (CID 44514267) is 3-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]phenyl]-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 3-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]phenyl]-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 3-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]phenyl]-4,5-dihydro-1H-pyridazin-6-one is CN1CCN(C(=O)COc2ccc(C3=NNC(=O)CC3)cc2)CC1.
What is the InChIKey of 3-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]phenyl]-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is PSWOUFGBJUZWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-20-8-10-21(11-9-20)17(23)12-24-14-4-2-13(3-5-14)15-6-7-16(22)19-18-15/h2-5H,6-12H2,1H3,(H,19,22).
What are the key properties of 3-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]phenyl]-4,5-dihydro-1H-pyridazin-6-one?
3-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]phenyl]-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 330.39 g/mol, XLogP of 0.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]phenyl]-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 44514267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).