6-methyl-2-[2-[2-methyl-4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one

C19H24N4O2 — CID 70785679

IUPAC6-methyl-2-[2-[2-methyl-4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one
SMILESCc1ccc(=O)n(CC(=O)N2CCN(c3ccccc3C)CC2C)n1
InChIInChI=1S/C19H24N4O2/c1-14-6-4-5-7-17(14)21-10-11-22(16(3)12-21)19(25)13-23-18(24)9-8-15(2)20-23/h4-9,16H,10-13H2,1-3H3
InChIKeyXUSKXWAUUWMZAU-UHFFFAOYSA-N
MW340.43 g/mol
LogP1.60
Rot. Bonds3

About 6-methyl-2-[2-[2-methyl-4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one

6-methyl-2-[2-[2-methyl-4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one (PubChem CID 70785679) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 6-methyl-2-[2-[2-methyl-4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one.

Molecular Properties

Compound Name6-methyl-2-[2-[2-methyl-4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one
PubChem CID70785679
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name6-methyl-2-[2-[2-methyl-4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one
SMILESCc1ccc(=O)n(CC(=O)N2CCN(c3ccccc3C)CC2C)n1
InChIInChI=1S/C19H24N4O2/c1-14-6-4-5-7-17(14)21-10-11-22(16(3)12-21)19(25)13-23-18(24)9-8-15(2)20-23/h4-9,16H,10-13H2,1-3H3
InChIKeyXUSKXWAUUWMZAU-UHFFFAOYSA-N
XLogP1.60
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,5-dimethylpyrazol-1-yl)-1-[(2R)-2-methyl-4-(2-phenylphenyl)piperazin-1-yl]ethanone
CID 59564417
2-(2-amino-4,6-dimethylpyrimidin-5-yl)-1-[2-methyl-4-(2-methylphenyl)piperazin-1-yl]ethanone
CID 70751102
2-(3,5-dimethylpyrazol-1-yl)-1-[4-[2-[2-(4-hydroxypiperidin-1-yl)pyrimidin-5-yl]phenyl]-2-methylpiperazin-1-yl]ethanone
CID 59564488
1-[2-methyl-4-(2-methylphenyl)piperazin-1-yl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)propan-1-one
CID 70775005
2-[(2S)-2-methyl-4-(2-methylphenyl)piperazin-1-yl]acetic acid
CID 98770791
6-methyl-2-[2-oxo-2-[3-(4-phenylpiperazine-1-carbonyl)azetidin-1-yl]ethyl]pyridazin-3-one
CID 92634038
1-[2-methyl-4-(2-methylphenyl)piperazin-1-yl]-2-([1,2,4]triazolo[4,3-b]pyridazin-6-yloxy)ethanone
CID 70755407
2-ethyl-4-methyl-5-[2-[(2R)-2-methyl-4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-1H-pyrimidin-6-one
CID 136808440
5-[3-[2-methyl-4-(2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-1,2-oxazol-3-one
CID 70764665
1-[2-[(2S)-4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one
CID 95897539
1-[2-[(2R)-4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one
CID 95897540
2-[4-(2-methylphenyl)piperazin-1-yl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone
CID 92987749

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[2-[2-methyl-4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one?
The IUPAC name of 6-methyl-2-[2-[2-methyl-4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one (CID 70785679) is 6-methyl-2-[2-[2-methyl-4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one.
What is the SMILES notation for 6-methyl-2-[2-[2-methyl-4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one?
The canonical SMILES for 6-methyl-2-[2-[2-methyl-4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one is Cc1ccc(=O)n(CC(=O)N2CCN(c3ccccc3C)CC2C)n1.
What is the InChIKey of 6-methyl-2-[2-[2-methyl-4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one?
The InChIKey is XUSKXWAUUWMZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-14-6-4-5-7-17(14)21-10-11-22(16(3)12-21)19(25)13-23-18(24)9-8-15(2)20-23/h4-9,16H,10-13H2,1-3H3.
What are the key properties of 6-methyl-2-[2-[2-methyl-4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one?
6-methyl-2-[2-[2-methyl-4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one has a molecular weight of 340.43 g/mol, XLogP of 1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[2-[2-methyl-4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one is sourced from PubChem (CID 70785679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).