2-methyl-4,6,7,8,9,9a-hexahydro-3H-pyrazino[1,2-a]pyrazin-1-one

C8H15N3O — CID 51072205

IUPAC2-methyl-4,6,7,8,9,9a-hexahydro-3H-pyrazino[1,2-a]pyrazin-1-one
SMILESCN1CCN2CCNCC2C1=O
InChIInChI=1S/C8H15N3O/c1-10-4-5-11-3-2-9-6-7(11)8(10)12/h7,9H,2-6H2,1H3
InChIKeyAQERSHFVJCXUDR-UHFFFAOYSA-N
MW169.23 g/mol
LogP-1.27
Rot. Bonds

About 2-methyl-4,6,7,8,9,9a-hexahydro-3H-pyrazino[1,2-a]pyrazin-1-one

2-methyl-4,6,7,8,9,9a-hexahydro-3H-pyrazino[1,2-a]pyrazin-1-one (PubChem CID 51072205) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 2-methyl-4,6,7,8,9,9a-hexahydro-3H-pyrazino[1,2-a]pyrazin-1-one.

Molecular Properties

Compound Name2-methyl-4,6,7,8,9,9a-hexahydro-3H-pyrazino[1,2-a]pyrazin-1-one
PubChem CID51072205
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name2-methyl-4,6,7,8,9,9a-hexahydro-3H-pyrazino[1,2-a]pyrazin-1-one
SMILESCN1CCN2CCNCC2C1=O
InChIInChI=1S/C8H15N3O/c1-10-4-5-11-3-2-9-6-7(11)8(10)12/h7,9H,2-6H2,1H3
InChIKeyAQERSHFVJCXUDR-UHFFFAOYSA-N
XLogP-1.27
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 5-1.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4,6,7,8,9,9a-hexahydro-3H-pyrazino[1,2-a]pyrazin-1-one?
The IUPAC name of 2-methyl-4,6,7,8,9,9a-hexahydro-3H-pyrazino[1,2-a]pyrazin-1-one (CID 51072205) is 2-methyl-4,6,7,8,9,9a-hexahydro-3H-pyrazino[1,2-a]pyrazin-1-one.
What is the SMILES notation for 2-methyl-4,6,7,8,9,9a-hexahydro-3H-pyrazino[1,2-a]pyrazin-1-one?
The canonical SMILES for 2-methyl-4,6,7,8,9,9a-hexahydro-3H-pyrazino[1,2-a]pyrazin-1-one is CN1CCN2CCNCC2C1=O.
What is the InChIKey of 2-methyl-4,6,7,8,9,9a-hexahydro-3H-pyrazino[1,2-a]pyrazin-1-one?
The InChIKey is AQERSHFVJCXUDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-10-4-5-11-3-2-9-6-7(11)8(10)12/h7,9H,2-6H2,1H3.
What are the key properties of 2-methyl-4,6,7,8,9,9a-hexahydro-3H-pyrazino[1,2-a]pyrazin-1-one?
2-methyl-4,6,7,8,9,9a-hexahydro-3H-pyrazino[1,2-a]pyrazin-1-one has a molecular weight of 169.23 g/mol, XLogP of -1.27, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4,6,7,8,9,9a-hexahydro-3H-pyrazino[1,2-a]pyrazin-1-one is sourced from PubChem (CID 51072205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).