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

C7H9N3O3 — CID 169488835

IUPAC2,3,6,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-1,4,7-trione
SMILESO=C1CN2C(=O)CNC(=O)C2CN1
InChIInChI=1S/C7H9N3O3/c11-5-3-10-4(1-8-5)7(13)9-2-6(10)12/h4H,1-3H2,(H,8,11)(H,9,13)
InChIKeyYYLHBBUJTCGCBT-UHFFFAOYSA-N
MW183.17 g/mol
LogP-2.56
Rot. Bonds

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

2,3,6,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-1,4,7-trione (PubChem CID 169488835) has the molecular formula C7H9N3O3 and a molecular weight of 183.17 g/mol. Its IUPAC name is 2,3,6,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-1,4,7-trione.

Molecular Properties

Compound Name2,3,6,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-1,4,7-trione
PubChem CID169488835
Molecular FormulaC7H9N3O3
Molecular Weight183.17 g/mol
Exact Mass183.06
IUPAC Name2,3,6,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-1,4,7-trione
SMILESO=C1CN2C(=O)CNC(=O)C2CN1
InChIInChI=1S/C7H9N3O3/c11-5-3-10-4(1-8-5)7(13)9-2-6(10)12/h4H,1-3H2,(H,8,11)(H,9,13)
InChIKeyYYLHBBUJTCGCBT-UHFFFAOYSA-N
XLogP-2.56
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 5-2.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3,6,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-1,4,7-trione?
The IUPAC name of 2,3,6,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-1,4,7-trione (CID 169488835) is 2,3,6,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-1,4,7-trione.
What is the SMILES notation for 2,3,6,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-1,4,7-trione?
The canonical SMILES for 2,3,6,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-1,4,7-trione is O=C1CN2C(=O)CNC(=O)C2CN1.
What is the InChIKey of 2,3,6,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-1,4,7-trione?
The InChIKey is YYLHBBUJTCGCBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O3/c11-5-3-10-4(1-8-5)7(13)9-2-6(10)12/h4H,1-3H2,(H,8,11)(H,9,13).
What are the key properties of 2,3,6,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-1,4,7-trione?
2,3,6,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-1,4,7-trione has a molecular weight of 183.17 g/mol, XLogP of -2.56, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-1,4,7-trione is sourced from PubChem (CID 169488835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).