ethane;3-piperazin-1-yl-1H-pyridazin-6-one

C12H24N4O — CID 178116795

IUPACethane;3-piperazin-1-yl-1H-pyridazin-6-one
SMILESCC.CC.O=c1ccc(N2CCNCC2)n[nH]1
InChIInChI=1S/C8H12N4O.2C2H6/c13-8-2-1-7(10-11-8)12-5-3-9-4-6-12;2*1-2/h1-2,9H,3-6H2,(H,11,13);2*1-2H3
InChIKeyISQDQPIMYDSZCK-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.23
Rot. Bonds1

About ethane;3-piperazin-1-yl-1H-pyridazin-6-one

ethane;3-piperazin-1-yl-1H-pyridazin-6-one (PubChem CID 178116795) has the molecular formula C12H24N4O and a molecular weight of 240.35 g/mol. Its IUPAC name is ethane;3-piperazin-1-yl-1H-pyridazin-6-one.

Molecular Properties

Compound Nameethane;3-piperazin-1-yl-1H-pyridazin-6-one
PubChem CID178116795
Molecular FormulaC12H24N4O
Molecular Weight240.35 g/mol
Exact Mass240.20
IUPAC Nameethane;3-piperazin-1-yl-1H-pyridazin-6-one
SMILESCC.CC.O=c1ccc(N2CCNCC2)n[nH]1
InChIInChI=1S/C8H12N4O.2C2H6/c13-8-2-1-7(10-11-8)12-5-3-9-4-6-12;2*1-2/h1-2,9H,3-6H2,(H,11,13);2*1-2H3
InChIKeyISQDQPIMYDSZCK-UHFFFAOYSA-N
XLogP1.23
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-Fluoroethyl)-6-(piperazin-1-yl)-2,3-dihydropyridazin-3-one
CID 126843873
6-(4-(2-Fluorocyclobutyl)piperazin-1-yl)pyridazin-3-ol
CID 168021762
6-(3-Aminopiperidin-1-YL)-2,3-dihydropyridazin-3-one
CID 124052724
6-(Piperazin-1-yl)pyridazin-3(2H)-one
CID 5121298
6-(4-Methylpiperazin-1-yl)pyridazin-3-ol
CID 13103527
6-(Ethylamino)pyridazin-3(2H)-one
CID 13274962
6-(Propylamino)pyridazin-3(2H)-one
CID 13274963
6-(Butylamino)pyridazin-3(2H)-one
CID 13274966
4-(6-Hydroxypyridazin-3-yl)piperazine, hydrobromide
CID 20437730
2-methyl-6-piperazin-1-yl-2H-pyridazin-3-one
CID 46397568
[amino-(cyanoamino)methylidene]-methyl-[2-[methyl-(6-oxo-1H-pyridazin-3-yl)amino]ethyl]azanium
CID 53883185
1-cyano-2-methyl-3-[2-[methyl-(6-oxo-1H-pyridazin-3-yl)amino]ethyl]guanidine
CID 54217504

Frequently Asked Questions

What is the IUPAC name of ethane;3-piperazin-1-yl-1H-pyridazin-6-one?
The IUPAC name of ethane;3-piperazin-1-yl-1H-pyridazin-6-one (CID 178116795) is ethane;3-piperazin-1-yl-1H-pyridazin-6-one.
What is the SMILES notation for ethane;3-piperazin-1-yl-1H-pyridazin-6-one?
The canonical SMILES for ethane;3-piperazin-1-yl-1H-pyridazin-6-one is CC.CC.O=c1ccc(N2CCNCC2)n[nH]1.
What is the InChIKey of ethane;3-piperazin-1-yl-1H-pyridazin-6-one?
The InChIKey is ISQDQPIMYDSZCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O.2C2H6/c13-8-2-1-7(10-11-8)12-5-3-9-4-6-12;2*1-2/h1-2,9H,3-6H2,(H,11,13);2*1-2H3.
What are the key properties of ethane;3-piperazin-1-yl-1H-pyridazin-6-one?
ethane;3-piperazin-1-yl-1H-pyridazin-6-one has a molecular weight of 240.35 g/mol, XLogP of 1.23, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-piperazin-1-yl-1H-pyridazin-6-one is sourced from PubChem (CID 178116795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).