3-methyl-1-(2H-pyrazin-1-yl)piperazin-2-one

C9H14N4O — CID 173471228

IUPAC3-methyl-1-(2H-pyrazin-1-yl)piperazin-2-one
SMILESCC1NCCN(N2C=CN=CC2)C1=O
InChIInChI=1S/C9H14N4O/c1-8-9(14)13(7-4-11-8)12-5-2-10-3-6-12/h2-3,5,8,11H,4,6-7H2,1H3
InChIKeyVVBHPGOJKJJANN-UHFFFAOYSA-N
MW194.24 g/mol
LogP-0.42
Rot. Bonds1

About 3-methyl-1-(2H-pyrazin-1-yl)piperazin-2-one

3-methyl-1-(2H-pyrazin-1-yl)piperazin-2-one (PubChem CID 173471228) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 3-methyl-1-(2H-pyrazin-1-yl)piperazin-2-one.

Molecular Properties

Compound Name3-methyl-1-(2H-pyrazin-1-yl)piperazin-2-one
PubChem CID173471228
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name3-methyl-1-(2H-pyrazin-1-yl)piperazin-2-one
SMILESCC1NCCN(N2C=CN=CC2)C1=O
InChIInChI=1S/C9H14N4O/c1-8-9(14)13(7-4-11-8)12-5-2-10-3-6-12/h2-3,5,8,11H,4,6-7H2,1H3
InChIKeyVVBHPGOJKJJANN-UHFFFAOYSA-N
XLogP-0.42
TPSA47.94 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 ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1,2-dihydropyrazine-2-carboxamide
CID 141194609

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2H-pyrazin-1-yl)piperazin-2-one?
The IUPAC name of 3-methyl-1-(2H-pyrazin-1-yl)piperazin-2-one (CID 173471228) is 3-methyl-1-(2H-pyrazin-1-yl)piperazin-2-one.
What is the SMILES notation for 3-methyl-1-(2H-pyrazin-1-yl)piperazin-2-one?
The canonical SMILES for 3-methyl-1-(2H-pyrazin-1-yl)piperazin-2-one is CC1NCCN(N2C=CN=CC2)C1=O.
What is the InChIKey of 3-methyl-1-(2H-pyrazin-1-yl)piperazin-2-one?
The InChIKey is VVBHPGOJKJJANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c1-8-9(14)13(7-4-11-8)12-5-2-10-3-6-12/h2-3,5,8,11H,4,6-7H2,1H3.
What are the key properties of 3-methyl-1-(2H-pyrazin-1-yl)piperazin-2-one?
3-methyl-1-(2H-pyrazin-1-yl)piperazin-2-one has a molecular weight of 194.24 g/mol, XLogP of -0.42, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2H-pyrazin-1-yl)piperazin-2-one is sourced from PubChem (CID 173471228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).