5-methyl-4-piperazin-1-yl-1H-pyridazin-6-one

C9H14N4O — CID 23018250

IUPAC5-methyl-4-piperazin-1-yl-1H-pyridazin-6-one
SMILESCc1c(N2CCNCC2)cn[nH]c1=O
InChIInChI=1S/C9H14N4O/c1-7-8(6-11-12-9(7)14)13-4-2-10-3-5-13/h6,10H,2-5H2,1H3,(H,12,14)
InChIKeyKIDKYROVRRPHQY-UHFFFAOYSA-N
MW194.24 g/mol
LogP-0.51
Rot. Bonds1

About 5-methyl-4-piperazin-1-yl-1H-pyridazin-6-one

5-methyl-4-piperazin-1-yl-1H-pyridazin-6-one (PubChem CID 23018250) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 5-methyl-4-piperazin-1-yl-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-methyl-4-piperazin-1-yl-1H-pyridazin-6-one
PubChem CID23018250
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name5-methyl-4-piperazin-1-yl-1H-pyridazin-6-one
SMILESCc1c(N2CCNCC2)cn[nH]c1=O
InChIInChI=1S/C9H14N4O/c1-7-8(6-11-12-9(7)14)13-4-2-10-3-5-13/h6,10H,2-5H2,1H3,(H,12,14)
InChIKeyKIDKYROVRRPHQY-UHFFFAOYSA-N
XLogP-0.51
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4aR,7aR)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-5-methyl-1H-pyridazin-6-one
CID 158094764
3,4-dimethyl-5-piperazin-1-ylpyridazine
CID 91150829
4-(5-fluoro-6-morpholin-4-yl-1,3-dihydroisoindol-2-yl)-5-methyl-1H-pyridazin-6-one
CID 149056174
5-[6-(oxomethylidene)cyclohexa-1,3-dien-1-yl]-4-piperazin-1-yl-1H-pyridazin-6-one
CID 21245096
1-[5-(2,2-dimethylpropyl)-1H-pyrazol-4-yl]piperazine
CID 117210022
3-methyl-4-piperazin-1-yl-1H-pyridazin-6-one
CID 126516146
5-methyl-4-[4-[methyl(piperidin-4-yl)amino]-1,3-dihydroisoindol-2-yl]-1H-pyridazin-6-one
CID 161260865
3,4-dimethyl-5-piperazin-1-ylpyridine-2-carboxamide
CID 175207063
5-methyl-4-[4-(methylamino)-1,3-dihydroisoindol-2-yl]-1H-pyridazin-6-one
CID 148776849
1-[5-[(3-methylphenyl)methyl]-1H-pyrazol-4-yl]piperazine
CID 117210074
4,5-dimorpholin-4-yl-1H-pyridazin-6-one
CID 161394911
5-chloro-4-(2,2-dimethylpiperazin-1-yl)-1H-pyridazin-6-one
CID 80746315

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-piperazin-1-yl-1H-pyridazin-6-one?
The IUPAC name of 5-methyl-4-piperazin-1-yl-1H-pyridazin-6-one (CID 23018250) is 5-methyl-4-piperazin-1-yl-1H-pyridazin-6-one.
What is the SMILES notation for 5-methyl-4-piperazin-1-yl-1H-pyridazin-6-one?
The canonical SMILES for 5-methyl-4-piperazin-1-yl-1H-pyridazin-6-one is Cc1c(N2CCNCC2)cn[nH]c1=O.
What is the InChIKey of 5-methyl-4-piperazin-1-yl-1H-pyridazin-6-one?
The InChIKey is KIDKYROVRRPHQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c1-7-8(6-11-12-9(7)14)13-4-2-10-3-5-13/h6,10H,2-5H2,1H3,(H,12,14).
What are the key properties of 5-methyl-4-piperazin-1-yl-1H-pyridazin-6-one?
5-methyl-4-piperazin-1-yl-1H-pyridazin-6-one has a molecular weight of 194.24 g/mol, XLogP of -0.51, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-piperazin-1-yl-1H-pyridazin-6-one is sourced from PubChem (CID 23018250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).