4-(3-oxopiperazin-1-yl)-1H-pyridazin-6-one

C8H10N4O2 — CID 114393023

IUPAC4-(3-oxopiperazin-1-yl)-1H-pyridazin-6-one
SMILESO=C1CN(c2cn[nH]c(=O)c2)CCN1
InChIInChI=1S/C8H10N4O2/c13-7-3-6(4-10-11-7)12-2-1-9-8(14)5-12/h3-4H,1-2,5H2,(H,9,14)(H,11,13)
InChIKeyZBUAXUBXLJTIMX-UHFFFAOYSA-N
MW194.19 g/mol
LogP-1.29
Rot. Bonds1

About 4-(3-oxopiperazin-1-yl)-1H-pyridazin-6-one

4-(3-oxopiperazin-1-yl)-1H-pyridazin-6-one (PubChem CID 114393023) has the molecular formula C8H10N4O2 and a molecular weight of 194.19 g/mol. Its IUPAC name is 4-(3-oxopiperazin-1-yl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-(3-oxopiperazin-1-yl)-1H-pyridazin-6-one
PubChem CID114393023
Molecular FormulaC8H10N4O2
Molecular Weight194.19 g/mol
Exact Mass194.08
IUPAC Name4-(3-oxopiperazin-1-yl)-1H-pyridazin-6-one
SMILESO=C1CN(c2cn[nH]c(=O)c2)CCN1
InChIInChI=1S/C8H10N4O2/c13-7-3-6(4-10-11-7)12-2-1-9-8(14)5-12/h3-4H,1-2,5H2,(H,9,14)(H,11,13)
InChIKeyZBUAXUBXLJTIMX-UHFFFAOYSA-N
XLogP-1.29
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 5-1.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-oxopiperazin-1-yl)-1H-pyridazin-6-one?
The IUPAC name of 4-(3-oxopiperazin-1-yl)-1H-pyridazin-6-one (CID 114393023) is 4-(3-oxopiperazin-1-yl)-1H-pyridazin-6-one.
What is the SMILES notation for 4-(3-oxopiperazin-1-yl)-1H-pyridazin-6-one?
The canonical SMILES for 4-(3-oxopiperazin-1-yl)-1H-pyridazin-6-one is O=C1CN(c2cn[nH]c(=O)c2)CCN1.
What is the InChIKey of 4-(3-oxopiperazin-1-yl)-1H-pyridazin-6-one?
The InChIKey is ZBUAXUBXLJTIMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O2/c13-7-3-6(4-10-11-7)12-2-1-9-8(14)5-12/h3-4H,1-2,5H2,(H,9,14)(H,11,13).
What are the key properties of 4-(3-oxopiperazin-1-yl)-1H-pyridazin-6-one?
4-(3-oxopiperazin-1-yl)-1H-pyridazin-6-one has a molecular weight of 194.19 g/mol, XLogP of -1.29, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-oxopiperazin-1-yl)-1H-pyridazin-6-one is sourced from PubChem (CID 114393023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).