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

C16H22N4O — CID 123222448

IUPAC4-methyl-3-[4-(4-methylpiperazin-1-yl)phenyl]-4,5-dihydro-1H-pyridazin-6-one
SMILESCC1CC(=O)NN=C1c1ccc(N2CCN(C)CC2)cc1
InChIInChI=1S/C16H22N4O/c1-12-11-15(21)17-18-16(12)13-3-5-14(6-4-13)20-9-7-19(2)8-10-20/h3-6,12H,7-11H2,1-2H3,(H,17,21)
InChIKeyJLQZDTUCRKMTRW-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.30
Rot. Bonds2

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

4-methyl-3-[4-(4-methylpiperazin-1-yl)phenyl]-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 123222448) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 4-methyl-3-[4-(4-methylpiperazin-1-yl)phenyl]-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-methyl-3-[4-(4-methylpiperazin-1-yl)phenyl]-4,5-dihydro-1H-pyridazin-6-one
PubChem CID123222448
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name4-methyl-3-[4-(4-methylpiperazin-1-yl)phenyl]-4,5-dihydro-1H-pyridazin-6-one
SMILESCC1CC(=O)NN=C1c1ccc(N2CCN(C)CC2)cc1
InChIInChI=1S/C16H22N4O/c1-12-11-15(21)17-18-16(12)13-3-5-14(6-4-13)20-9-7-19(2)8-10-20/h3-6,12H,7-11H2,1-2H3,(H,17,21)
InChIKeyJLQZDTUCRKMTRW-UHFFFAOYSA-N
XLogP1.30
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[4-(4-methylpiperazin-1-yl)phenyl]-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 4-methyl-3-[4-(4-methylpiperazin-1-yl)phenyl]-4,5-dihydro-1H-pyridazin-6-one (CID 123222448) is 4-methyl-3-[4-(4-methylpiperazin-1-yl)phenyl]-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 4-methyl-3-[4-(4-methylpiperazin-1-yl)phenyl]-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 4-methyl-3-[4-(4-methylpiperazin-1-yl)phenyl]-4,5-dihydro-1H-pyridazin-6-one is CC1CC(=O)NN=C1c1ccc(N2CCN(C)CC2)cc1.
What is the InChIKey of 4-methyl-3-[4-(4-methylpiperazin-1-yl)phenyl]-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is JLQZDTUCRKMTRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-12-11-15(21)17-18-16(12)13-3-5-14(6-4-13)20-9-7-19(2)8-10-20/h3-6,12H,7-11H2,1-2H3,(H,17,21).
What are the key properties of 4-methyl-3-[4-(4-methylpiperazin-1-yl)phenyl]-4,5-dihydro-1H-pyridazin-6-one?
4-methyl-3-[4-(4-methylpiperazin-1-yl)phenyl]-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 286.38 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[4-(4-methylpiperazin-1-yl)phenyl]-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 123222448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).