2-methyl-6-piperazin-1-ylpyridazin-3-one

C9H14N4O — CID 46397568

IUPAC2-methyl-6-piperazin-1-ylpyridazin-3-one
SMILESCn1nc(N2CCNCC2)ccc1=O
InChIInChI=1S/C9H14N4O/c1-12-9(14)3-2-8(11-12)13-6-4-10-5-7-13/h2-3,10H,4-7H2,1H3
InChIKeyYDFIMWVSHLAIQW-UHFFFAOYSA-N
MW194.24 g/mol
LogP-0.81
Rot. Bonds1

About 2-methyl-6-piperazin-1-ylpyridazin-3-one

2-methyl-6-piperazin-1-ylpyridazin-3-one (PubChem CID 46397568) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 2-methyl-6-piperazin-1-ylpyridazin-3-one.

Molecular Properties

Compound Name2-methyl-6-piperazin-1-ylpyridazin-3-one
PubChem CID46397568
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name2-methyl-6-piperazin-1-ylpyridazin-3-one
SMILESCn1nc(N2CCNCC2)ccc1=O
InChIInChI=1S/C9H14N4O/c1-12-9(14)3-2-8(11-12)13-6-4-10-5-7-13/h2-3,10H,4-7H2,1H3
InChIKeyYDFIMWVSHLAIQW-UHFFFAOYSA-N
XLogP-0.81
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 5-0.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-piperazin-1-ylpyridazin-3-one?
The IUPAC name of 2-methyl-6-piperazin-1-ylpyridazin-3-one (CID 46397568) is 2-methyl-6-piperazin-1-ylpyridazin-3-one.
What is the SMILES notation for 2-methyl-6-piperazin-1-ylpyridazin-3-one?
The canonical SMILES for 2-methyl-6-piperazin-1-ylpyridazin-3-one is Cn1nc(N2CCNCC2)ccc1=O.
What is the InChIKey of 2-methyl-6-piperazin-1-ylpyridazin-3-one?
The InChIKey is YDFIMWVSHLAIQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c1-12-9(14)3-2-8(11-12)13-6-4-10-5-7-13/h2-3,10H,4-7H2,1H3.
What are the key properties of 2-methyl-6-piperazin-1-ylpyridazin-3-one?
2-methyl-6-piperazin-1-ylpyridazin-3-one has a molecular weight of 194.24 g/mol, XLogP of -0.81, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-piperazin-1-ylpyridazin-3-one is sourced from PubChem (CID 46397568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).