3-(3-oxopiperazin-1-yl)-1H-pyrazin-2-one

C8H10N4O2 — CID 115650183

IUPAC3-(3-oxopiperazin-1-yl)-1H-pyrazin-2-one
SMILESO=C1CN(c2ncc[nH]c2=O)CCN1
InChIInChI=1S/C8H10N4O2/c13-6-5-12(4-3-9-6)7-8(14)11-2-1-10-7/h1-2H,3-5H2,(H,9,13)(H,11,14)
InChIKeyIDLPWYDFUOYXPE-UHFFFAOYSA-N
MW194.19 g/mol
LogP-1.29
Rot. Bonds1

About 3-(3-oxopiperazin-1-yl)-1H-pyrazin-2-one

3-(3-oxopiperazin-1-yl)-1H-pyrazin-2-one (PubChem CID 115650183) has the molecular formula C8H10N4O2 and a molecular weight of 194.19 g/mol. Its IUPAC name is 3-(3-oxopiperazin-1-yl)-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-(3-oxopiperazin-1-yl)-1H-pyrazin-2-one
PubChem CID115650183
Molecular FormulaC8H10N4O2
Molecular Weight194.19 g/mol
Exact Mass194.08
IUPAC Name3-(3-oxopiperazin-1-yl)-1H-pyrazin-2-one
SMILESO=C1CN(c2ncc[nH]c2=O)CCN1
InChIInChI=1S/C8H10N4O2/c13-6-5-12(4-3-9-6)7-8(14)11-2-1-10-7/h1-2H,3-5H2,(H,9,13)(H,11,14)
InChIKeyIDLPWYDFUOYXPE-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 3-(3-oxopiperazin-1-yl)-1H-pyrazin-2-one?
The IUPAC name of 3-(3-oxopiperazin-1-yl)-1H-pyrazin-2-one (CID 115650183) is 3-(3-oxopiperazin-1-yl)-1H-pyrazin-2-one.
What is the SMILES notation for 3-(3-oxopiperazin-1-yl)-1H-pyrazin-2-one?
The canonical SMILES for 3-(3-oxopiperazin-1-yl)-1H-pyrazin-2-one is O=C1CN(c2ncc[nH]c2=O)CCN1.
What is the InChIKey of 3-(3-oxopiperazin-1-yl)-1H-pyrazin-2-one?
The InChIKey is IDLPWYDFUOYXPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O2/c13-6-5-12(4-3-9-6)7-8(14)11-2-1-10-7/h1-2H,3-5H2,(H,9,13)(H,11,14).
What are the key properties of 3-(3-oxopiperazin-1-yl)-1H-pyrazin-2-one?
3-(3-oxopiperazin-1-yl)-1H-pyrazin-2-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 3-(3-oxopiperazin-1-yl)-1H-pyrazin-2-one is sourced from PubChem (CID 115650183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).