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

C9H14N4O — CID 69365795

IUPAC3-(4-methylpiperazin-1-yl)-1H-pyrazin-2-one
SMILESCN1CCN(c2ncc[nH]c2=O)CC1
InChIInChI=1S/C9H14N4O/c1-12-4-6-13(7-5-12)8-9(14)11-3-2-10-8/h2-3H,4-7H2,1H3,(H,11,14)
InChIKeyCGCZDBZEUZUBGU-UHFFFAOYSA-N
MW194.24 g/mol
LogP-0.48
Rot. Bonds1

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

3-(4-methylpiperazin-1-yl)-1H-pyrazin-2-one (PubChem CID 69365795) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 3-(4-methylpiperazin-1-yl)-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-(4-methylpiperazin-1-yl)-1H-pyrazin-2-one
PubChem CID69365795
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name3-(4-methylpiperazin-1-yl)-1H-pyrazin-2-one
SMILESCN1CCN(c2ncc[nH]c2=O)CC1
InChIInChI=1S/C9H14N4O/c1-12-4-6-13(7-5-12)8-9(14)11-3-2-10-8/h2-3H,4-7H2,1H3,(H,11,14)
InChIKeyCGCZDBZEUZUBGU-UHFFFAOYSA-N
XLogP-0.48
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperazin-1-yl)-1H-pyrazin-2-one?
The IUPAC name of 3-(4-methylpiperazin-1-yl)-1H-pyrazin-2-one (CID 69365795) is 3-(4-methylpiperazin-1-yl)-1H-pyrazin-2-one.
What is the SMILES notation for 3-(4-methylpiperazin-1-yl)-1H-pyrazin-2-one?
The canonical SMILES for 3-(4-methylpiperazin-1-yl)-1H-pyrazin-2-one is CN1CCN(c2ncc[nH]c2=O)CC1.
What is the InChIKey of 3-(4-methylpiperazin-1-yl)-1H-pyrazin-2-one?
The InChIKey is CGCZDBZEUZUBGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c1-12-4-6-13(7-5-12)8-9(14)11-3-2-10-8/h2-3H,4-7H2,1H3,(H,11,14).
What are the key properties of 3-(4-methylpiperazin-1-yl)-1H-pyrazin-2-one?
3-(4-methylpiperazin-1-yl)-1H-pyrazin-2-one has a molecular weight of 194.24 g/mol, XLogP of -0.48, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperazin-1-yl)-1H-pyrazin-2-one is sourced from PubChem (CID 69365795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).