1,2,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazin-3-one

C7H13N3O — CID 84650199

IUPAC1,2,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazin-3-one
SMILESO=C1CN2CCNCC2CN1
InChIInChI=1S/C7H13N3O/c11-7-5-10-2-1-8-3-6(10)4-9-7/h6,8H,1-5H2,(H,9,11)
InChIKeyQZODPNKKZOTCTI-UHFFFAOYSA-N
MW155.20 g/mol
LogP-1.61
Rot. Bonds

About 1,2,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazin-3-one

1,2,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazin-3-one (PubChem CID 84650199) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is 1,2,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazin-3-one.

Molecular Properties

Compound Name1,2,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazin-3-one
PubChem CID84650199
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC Name1,2,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazin-3-one
SMILESO=C1CN2CCNCC2CN1
InChIInChI=1S/C7H13N3O/c11-7-5-10-2-1-8-3-6(10)4-9-7/h6,8H,1-5H2,(H,9,11)
InChIKeyQZODPNKKZOTCTI-UHFFFAOYSA-N
XLogP-1.61
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 5-1.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1,2,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazin-3-one 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 1,2,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazin-3-one?
The IUPAC name of 1,2,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazin-3-one (CID 84650199) is 1,2,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazin-3-one.
What is the SMILES notation for 1,2,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazin-3-one?
The canonical SMILES for 1,2,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazin-3-one is O=C1CN2CCNCC2CN1.
What is the InChIKey of 1,2,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazin-3-one?
The InChIKey is QZODPNKKZOTCTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O/c11-7-5-10-2-1-8-3-6(10)4-9-7/h6,8H,1-5H2,(H,9,11).
What are the key properties of 1,2,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazin-3-one?
1,2,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazin-3-one has a molecular weight of 155.20 g/mol, XLogP of -1.61, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazin-3-one is sourced from PubChem (CID 84650199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).