2-(2-piperazin-1-ylethyl)-1H-pyridazine-3,6-dione

C10H16N4O2 — CID 82509664

IUPAC2-(2-piperazin-1-ylethyl)-1H-pyridazine-3,6-dione
SMILESO=c1ccc(=O)n(CCN2CCNCC2)[nH]1
InChIInChI=1S/C10H16N4O2/c15-9-1-2-10(16)14(12-9)8-7-13-5-3-11-4-6-13/h1-2,11H,3-8H2,(H,12,15)
InChIKeyPFICTJMIFHFJSV-UHFFFAOYSA-N
MW224.26 g/mol
LogP-1.56
Rot. Bonds3

About 2-(2-piperazin-1-ylethyl)-1H-pyridazine-3,6-dione

2-(2-piperazin-1-ylethyl)-1H-pyridazine-3,6-dione (PubChem CID 82509664) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-(2-piperazin-1-ylethyl)-1H-pyridazine-3,6-dione.

Molecular Properties

Compound Name2-(2-piperazin-1-ylethyl)-1H-pyridazine-3,6-dione
PubChem CID82509664
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name2-(2-piperazin-1-ylethyl)-1H-pyridazine-3,6-dione
SMILESO=c1ccc(=O)n(CCN2CCNCC2)[nH]1
InChIInChI=1S/C10H16N4O2/c15-9-1-2-10(16)14(12-9)8-7-13-5-3-11-4-6-13/h1-2,11H,3-8H2,(H,12,15)
InChIKeyPFICTJMIFHFJSV-UHFFFAOYSA-N
XLogP-1.56
TPSA70.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-1.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Bis(aminoethylamino) ethyl maleamide
CID 129826976
1-(2-Aminoethyl)-1,2-dihydropyridazine-3,6-dione
CID 16782851
N-[4-(prop-2-enoylamino)piperazin-1-yl]prop-2-enamide
CID 18678965
CID 58044780
CID 58044780
4-[4-(4-Hydrazinyl-4-oxobut-2-enyl)piperazin-1-yl]but-2-enehydrazide
CID 69094618
N-[2-(4-aminopiperazin-1-yl)ethyl]prop-2-enamide
CID 123958058
2-[2-(dimethylamino)ethyl]-1H-pyridazine-3,6-dione
CID 138715539
(E)-1,4-di(piperazin-1-yl)but-2-ene-1,4-dione
CID 141152573
N'-[2-(3,6-dioxo-1H-pyridazin-2-yl)ethyl]acetohydrazide;ethane
CID 143571843
(E)-4-(4-methylpiperazin-1-yl)but-2-enehydrazide
CID 144832735
1-[4-[Methyl(methylamino)amino]piperazin-1-yl]prop-2-en-1-one
CID 146389480
(E)-4-(dimethylamino)-1-[4-(methylamino)piperazin-1-yl]but-2-en-1-one
CID 156062314

Frequently Asked Questions

What is the IUPAC name of 2-(2-piperazin-1-ylethyl)-1H-pyridazine-3,6-dione?
The IUPAC name of 2-(2-piperazin-1-ylethyl)-1H-pyridazine-3,6-dione (CID 82509664) is 2-(2-piperazin-1-ylethyl)-1H-pyridazine-3,6-dione.
What is the SMILES notation for 2-(2-piperazin-1-ylethyl)-1H-pyridazine-3,6-dione?
The canonical SMILES for 2-(2-piperazin-1-ylethyl)-1H-pyridazine-3,6-dione is O=c1ccc(=O)n(CCN2CCNCC2)[nH]1.
What is the InChIKey of 2-(2-piperazin-1-ylethyl)-1H-pyridazine-3,6-dione?
The InChIKey is PFICTJMIFHFJSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c15-9-1-2-10(16)14(12-9)8-7-13-5-3-11-4-6-13/h1-2,11H,3-8H2,(H,12,15).
What are the key properties of 2-(2-piperazin-1-ylethyl)-1H-pyridazine-3,6-dione?
2-(2-piperazin-1-ylethyl)-1H-pyridazine-3,6-dione has a molecular weight of 224.26 g/mol, XLogP of -1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-piperazin-1-ylethyl)-1H-pyridazine-3,6-dione is sourced from PubChem (CID 82509664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).