3,6,7,8,9,9a-hexahydro-2H-pyrazino[1,2-a]pyrazine-1,4-dione

C7H11N3O2 — CID 51072206

IUPAC3,6,7,8,9,9a-hexahydro-2H-pyrazino[1,2-a]pyrazine-1,4-dione
SMILESO=C1NCC(=O)N2CCNCC12
InChIInChI=1S/C7H11N3O2/c11-6-4-9-7(12)5-3-8-1-2-10(5)6/h5,8H,1-4H2,(H,9,12)
InChIKeyDPVSPOJGBBOZGB-UHFFFAOYSA-N
MW169.18 g/mol
LogP-2.08
Rot. Bonds

About 3,6,7,8,9,9a-hexahydro-2H-pyrazino[1,2-a]pyrazine-1,4-dione

3,6,7,8,9,9a-hexahydro-2H-pyrazino[1,2-a]pyrazine-1,4-dione (PubChem CID 51072206) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 3,6,7,8,9,9a-hexahydro-2H-pyrazino[1,2-a]pyrazine-1,4-dione.

Molecular Properties

Compound Name3,6,7,8,9,9a-hexahydro-2H-pyrazino[1,2-a]pyrazine-1,4-dione
PubChem CID51072206
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name3,6,7,8,9,9a-hexahydro-2H-pyrazino[1,2-a]pyrazine-1,4-dione
SMILESO=C1NCC(=O)N2CCNCC12
InChIInChI=1S/C7H11N3O2/c11-6-4-9-7(12)5-3-8-1-2-10(5)6/h5,8H,1-4H2,(H,9,12)
InChIKeyDPVSPOJGBBOZGB-UHFFFAOYSA-N
XLogP-2.08
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-2.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3,6,7,8,9,9a-hexahydro-2H-pyrazino[1,2-a]pyrazine-1,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,6,7,8,9,9a-hexahydro-2H-pyrazino[1,2-a]pyrazine-1,4-dione?
The IUPAC name of 3,6,7,8,9,9a-hexahydro-2H-pyrazino[1,2-a]pyrazine-1,4-dione (CID 51072206) is 3,6,7,8,9,9a-hexahydro-2H-pyrazino[1,2-a]pyrazine-1,4-dione.
What is the SMILES notation for 3,6,7,8,9,9a-hexahydro-2H-pyrazino[1,2-a]pyrazine-1,4-dione?
The canonical SMILES for 3,6,7,8,9,9a-hexahydro-2H-pyrazino[1,2-a]pyrazine-1,4-dione is O=C1NCC(=O)N2CCNCC12.
What is the InChIKey of 3,6,7,8,9,9a-hexahydro-2H-pyrazino[1,2-a]pyrazine-1,4-dione?
The InChIKey is DPVSPOJGBBOZGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c11-6-4-9-7(12)5-3-8-1-2-10(5)6/h5,8H,1-4H2,(H,9,12).
What are the key properties of 3,6,7,8,9,9a-hexahydro-2H-pyrazino[1,2-a]pyrazine-1,4-dione?
3,6,7,8,9,9a-hexahydro-2H-pyrazino[1,2-a]pyrazine-1,4-dione has a molecular weight of 169.18 g/mol, XLogP of -2.08, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6,7,8,9,9a-hexahydro-2H-pyrazino[1,2-a]pyrazine-1,4-dione is sourced from PubChem (CID 51072206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).