2-[3-(4-methylpiperazin-1-yl)propyl]pyridazin-3-one

C12H20N4O — CID 142677549

IUPAC2-[3-(4-methylpiperazin-1-yl)propyl]pyridazin-3-one
SMILESCN1CCN(CCCn2ncccc2=O)CC1
InChIInChI=1S/C12H20N4O/c1-14-8-10-15(11-9-14)6-3-7-16-12(17)4-2-5-13-16/h2,4-5H,3,6-11H2,1H3
InChIKeySQZUQWWASRWROX-UHFFFAOYSA-N
MW236.32 g/mol
LogP-0.12
Rot. Bonds4

About 2-[3-(4-methylpiperazin-1-yl)propyl]pyridazin-3-one

2-[3-(4-methylpiperazin-1-yl)propyl]pyridazin-3-one (PubChem CID 142677549) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-[3-(4-methylpiperazin-1-yl)propyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[3-(4-methylpiperazin-1-yl)propyl]pyridazin-3-one
PubChem CID142677549
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name2-[3-(4-methylpiperazin-1-yl)propyl]pyridazin-3-one
SMILESCN1CCN(CCCn2ncccc2=O)CC1
InChIInChI=1S/C12H20N4O/c1-14-8-10-15(11-9-14)6-3-7-16-12(17)4-2-5-13-16/h2,4-5H,3,6-11H2,1H3
InChIKeySQZUQWWASRWROX-UHFFFAOYSA-N
XLogP-0.12
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 5-0.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-(4-(2-fluoroethyl)piperazin-1-yl)-2-oxoethyl)pyridazin-3(2H)-one
CID 121021920
2-(2-(Dimethylamino)ethyl)pyridazin-3(2H)-one
CID 25181395
2-[2-(Dimethylamino)ethyl]pyridazin-3-one;hydrochloride
CID 25199425
2-(2-oxo-2-(piperidin-1-yl)ethyl)pyridazin-3(2H)-one
CID 45548745
2-[2-(4-Methylpiperazin-1-yl)-2-oxoethyl]pyridazin-3-one
CID 45548890
2-(1-Propan-2-ylpiperidin-4-yl)pyridazin-3-one
CID 142781731
2-[2-(Dimethylamino)ethyl]pyridazin-3-one;dihydrochloride
CID 175995239
2-[(4-Methylpiperazin-1-yl)methyl]pyridazin-3-one
CID 23018256
2-(2-(4-ethylpiperazin-1-yl)-2-oxoethyl)pyridazin-3(2H)-one
CID 45548754
2-(2-(4-acetylpiperazin-1-yl)-2-oxoethyl)pyridazin-3(2H)-one
CID 45548853
2-(3-Oxo-3-piperazin-1-ylpropyl)pyridazin-3-one
CID 55127015
2-[2-[3-(Dimethylamino)propylamino]ethyl]pyridazin-3-one
CID 62849091

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methylpiperazin-1-yl)propyl]pyridazin-3-one?
The IUPAC name of 2-[3-(4-methylpiperazin-1-yl)propyl]pyridazin-3-one (CID 142677549) is 2-[3-(4-methylpiperazin-1-yl)propyl]pyridazin-3-one.
What is the SMILES notation for 2-[3-(4-methylpiperazin-1-yl)propyl]pyridazin-3-one?
The canonical SMILES for 2-[3-(4-methylpiperazin-1-yl)propyl]pyridazin-3-one is CN1CCN(CCCn2ncccc2=O)CC1.
What is the InChIKey of 2-[3-(4-methylpiperazin-1-yl)propyl]pyridazin-3-one?
The InChIKey is SQZUQWWASRWROX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-14-8-10-15(11-9-14)6-3-7-16-12(17)4-2-5-13-16/h2,4-5H,3,6-11H2,1H3.
What are the key properties of 2-[3-(4-methylpiperazin-1-yl)propyl]pyridazin-3-one?
2-[3-(4-methylpiperazin-1-yl)propyl]pyridazin-3-one has a molecular weight of 236.32 g/mol, XLogP of -0.12, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methylpiperazin-1-yl)propyl]pyridazin-3-one is sourced from PubChem (CID 142677549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).