3-(4-acetylpiperazin-1-yl)-1H-pyrazin-2-one

C10H14N4O2 — CID 115650141

IUPAC3-(4-acetylpiperazin-1-yl)-1H-pyrazin-2-one
SMILESCC(=O)N1CCN(c2ncc[nH]c2=O)CC1
InChIInChI=1S/C10H14N4O2/c1-8(15)13-4-6-14(7-5-13)9-10(16)12-3-2-11-9/h2-3H,4-7H2,1H3,(H,12,16)
InChIKeyQUSRLTOUVRDBAH-UHFFFAOYSA-N
MW222.25 g/mol
LogP-0.56
Rot. Bonds1

About 3-(4-acetylpiperazin-1-yl)-1H-pyrazin-2-one

3-(4-acetylpiperazin-1-yl)-1H-pyrazin-2-one (PubChem CID 115650141) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 3-(4-acetylpiperazin-1-yl)-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-(4-acetylpiperazin-1-yl)-1H-pyrazin-2-one
PubChem CID115650141
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Name3-(4-acetylpiperazin-1-yl)-1H-pyrazin-2-one
SMILESCC(=O)N1CCN(c2ncc[nH]c2=O)CC1
InChIInChI=1S/C10H14N4O2/c1-8(15)13-4-6-14(7-5-13)9-10(16)12-3-2-11-9/h2-3H,4-7H2,1H3,(H,12,16)
InChIKeyQUSRLTOUVRDBAH-UHFFFAOYSA-N
XLogP-0.56
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 5-0.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-acetylpiperazin-1-yl)-1H-pyrazin-2-one?
The IUPAC name of 3-(4-acetylpiperazin-1-yl)-1H-pyrazin-2-one (CID 115650141) is 3-(4-acetylpiperazin-1-yl)-1H-pyrazin-2-one.
What is the SMILES notation for 3-(4-acetylpiperazin-1-yl)-1H-pyrazin-2-one?
The canonical SMILES for 3-(4-acetylpiperazin-1-yl)-1H-pyrazin-2-one is CC(=O)N1CCN(c2ncc[nH]c2=O)CC1.
What is the InChIKey of 3-(4-acetylpiperazin-1-yl)-1H-pyrazin-2-one?
The InChIKey is QUSRLTOUVRDBAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2/c1-8(15)13-4-6-14(7-5-13)9-10(16)12-3-2-11-9/h2-3H,4-7H2,1H3,(H,12,16).
What are the key properties of 3-(4-acetylpiperazin-1-yl)-1H-pyrazin-2-one?
3-(4-acetylpiperazin-1-yl)-1H-pyrazin-2-one has a molecular weight of 222.25 g/mol, XLogP of -0.56, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetylpiperazin-1-yl)-1H-pyrazin-2-one is sourced from PubChem (CID 115650141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).