5-methyl-2-(2-piperazin-1-ylethyl)pyridazin-3-one

C11H18N4O — CID 106548736

IUPAC5-methyl-2-(2-piperazin-1-ylethyl)pyridazin-3-one
SMILESCc1cnn(CCN2CCNCC2)c(=O)c1
InChIInChI=1S/C11H18N4O/c1-10-8-11(16)15(13-9-10)7-6-14-4-2-12-3-5-14/h8-9,12H,2-7H2,1H3
InChIKeyWHNZIROSWDXIGP-UHFFFAOYSA-N
MW222.29 g/mol
LogP-0.54
Rot. Bonds3

About 5-methyl-2-(2-piperazin-1-ylethyl)pyridazin-3-one

5-methyl-2-(2-piperazin-1-ylethyl)pyridazin-3-one (PubChem CID 106548736) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 5-methyl-2-(2-piperazin-1-ylethyl)pyridazin-3-one.

Molecular Properties

Compound Name5-methyl-2-(2-piperazin-1-ylethyl)pyridazin-3-one
PubChem CID106548736
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name5-methyl-2-(2-piperazin-1-ylethyl)pyridazin-3-one
SMILESCc1cnn(CCN2CCNCC2)c(=O)c1
InChIInChI=1S/C11H18N4O/c1-10-8-11(16)15(13-9-10)7-6-14-4-2-12-3-5-14/h8-9,12H,2-7H2,1H3
InChIKeyWHNZIROSWDXIGP-UHFFFAOYSA-N
XLogP-0.54
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 5-0.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methoxyethyl)-5-methylpyridazin-3-one
CID 131063338
2-(4-aminobutyl)-5-methylpyridazin-3-one
CID 106548370
3-(4-methyl-6-oxopyridazin-1-yl)propanenitrile
CID 106548665
2-(cyclopropylmethyl)-5-methylpyridazin-3-one
CID 131020040
5-methyl-2-[[(2R)-pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 106548752
5-methyl-2-[(E)-4-sulfanylbut-2-enyl]pyridazin-3-one
CID 106549199
N-methyl-2-(2-piperazin-1-ylethyl)pyrazol-3-amine
CID 142144901
2-[2-(hexylamino)ethyl]-5-methylpyridazin-3-one
CID 106549117
2-(1-azabicyclo[2.2.0]hex-2-en-2-ylmethyl)-5-methylpyridazin-3-one
CID 167158196
3,5-dimethyl-1-(2-piperazin-1-ylethyl)pyrazole-4-carboxylic acid
CID 82513910
N-methyl-2-(4-methyl-6-oxopyridazin-1-yl)acetamide
CID 131176187
5-morpholin-4-yl-2-(2-piperidin-4-ylethyl)pyridazin-3-one
CID 105061198

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(2-piperazin-1-ylethyl)pyridazin-3-one?
The IUPAC name of 5-methyl-2-(2-piperazin-1-ylethyl)pyridazin-3-one (CID 106548736) is 5-methyl-2-(2-piperazin-1-ylethyl)pyridazin-3-one.
What is the SMILES notation for 5-methyl-2-(2-piperazin-1-ylethyl)pyridazin-3-one?
The canonical SMILES for 5-methyl-2-(2-piperazin-1-ylethyl)pyridazin-3-one is Cc1cnn(CCN2CCNCC2)c(=O)c1.
What is the InChIKey of 5-methyl-2-(2-piperazin-1-ylethyl)pyridazin-3-one?
The InChIKey is WHNZIROSWDXIGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-10-8-11(16)15(13-9-10)7-6-14-4-2-12-3-5-14/h8-9,12H,2-7H2,1H3.
What are the key properties of 5-methyl-2-(2-piperazin-1-ylethyl)pyridazin-3-one?
5-methyl-2-(2-piperazin-1-ylethyl)pyridazin-3-one has a molecular weight of 222.29 g/mol, XLogP of -0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(2-piperazin-1-ylethyl)pyridazin-3-one is sourced from PubChem (CID 106548736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).