piperazine;1H-pyridazin-6-one

C8H14N4O — CID 67083956

IUPACpiperazine;1H-pyridazin-6-one
SMILESC1CNCCN1.O=c1cccn[nH]1
InChIInChI=1S/C4H4N2O.C4H10N2/c7-4-2-1-3-5-6-4;1-2-6-4-3-5-1/h1-3H,(H,6,7);5-6H,1-4H2
InChIKeyCTFVKBAXWRDJOT-UHFFFAOYSA-N
MW182.23 g/mol
LogP-1.05
Rot. Bonds

About piperazine;1H-pyridazin-6-one

piperazine;1H-pyridazin-6-one (PubChem CID 67083956) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is piperazine;1H-pyridazin-6-one.

Molecular Properties

Compound Namepiperazine;1H-pyridazin-6-one
PubChem CID67083956
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Namepiperazine;1H-pyridazin-6-one
SMILESC1CNCCN1.O=c1cccn[nH]1
InChIInChI=1S/C4H4N2O.C4H10N2/c7-4-2-1-3-5-6-4;1-2-6-4-3-5-1/h1-3H,(H,6,7);5-6H,1-4H2
InChIKeyCTFVKBAXWRDJOT-UHFFFAOYSA-N
XLogP-1.05
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 5-1.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of piperazine;1H-pyridazin-6-one?
The IUPAC name of piperazine;1H-pyridazin-6-one (CID 67083956) is piperazine;1H-pyridazin-6-one.
What is the SMILES notation for piperazine;1H-pyridazin-6-one?
The canonical SMILES for piperazine;1H-pyridazin-6-one is C1CNCCN1.O=c1cccn[nH]1.
What is the InChIKey of piperazine;1H-pyridazin-6-one?
The InChIKey is CTFVKBAXWRDJOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2O.C4H10N2/c7-4-2-1-3-5-6-4;1-2-6-4-3-5-1/h1-3H,(H,6,7);5-6H,1-4H2.
What are the key properties of piperazine;1H-pyridazin-6-one?
piperazine;1H-pyridazin-6-one has a molecular weight of 182.23 g/mol, XLogP of -1.05, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for piperazine;1H-pyridazin-6-one is sourced from PubChem (CID 67083956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).