2-methyl-3,6,7,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-1,4-dione

C8H13N3O2 — CID 51072207

IUPAC2-methyl-3,6,7,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-1,4-dione
SMILESCN1CC(=O)N2CCNCC2C1=O
InChIInChI=1S/C8H13N3O2/c1-10-5-7(12)11-3-2-9-4-6(11)8(10)13/h6,9H,2-5H2,1H3
InChIKeyWKWGCEBRIXQAHA-UHFFFAOYSA-N
MW183.21 g/mol
LogP-1.74
Rot. Bonds

About 2-methyl-3,6,7,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-1,4-dione

2-methyl-3,6,7,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-1,4-dione (PubChem CID 51072207) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 2-methyl-3,6,7,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-1,4-dione.

Molecular Properties

Compound Name2-methyl-3,6,7,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-1,4-dione
PubChem CID51072207
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name2-methyl-3,6,7,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-1,4-dione
SMILESCN1CC(=O)N2CCNCC2C1=O
InChIInChI=1S/C8H13N3O2/c1-10-5-7(12)11-3-2-9-4-6(11)8(10)13/h6,9H,2-5H2,1H3
InChIKeyWKWGCEBRIXQAHA-UHFFFAOYSA-N
XLogP-1.74
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-1.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3,6,7,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-1,4-dione?
The IUPAC name of 2-methyl-3,6,7,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-1,4-dione (CID 51072207) is 2-methyl-3,6,7,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-1,4-dione.
What is the SMILES notation for 2-methyl-3,6,7,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-1,4-dione?
The canonical SMILES for 2-methyl-3,6,7,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-1,4-dione is CN1CC(=O)N2CCNCC2C1=O.
What is the InChIKey of 2-methyl-3,6,7,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-1,4-dione?
The InChIKey is WKWGCEBRIXQAHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-10-5-7(12)11-3-2-9-4-6(11)8(10)13/h6,9H,2-5H2,1H3.
What are the key properties of 2-methyl-3,6,7,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-1,4-dione?
2-methyl-3,6,7,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-1,4-dione has a molecular weight of 183.21 g/mol, XLogP of -1.74, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3,6,7,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-1,4-dione is sourced from PubChem (CID 51072207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).