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

C7H11N3O2 — CID 164590118

IUPAC2,4,7,8,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-3,6-dione
SMILESO=C1CN2C(=O)CNCC2CN1
InChIInChI=1S/C7H11N3O2/c11-6-4-10-5(2-9-6)1-8-3-7(10)12/h5,8H,1-4H2,(H,9,11)
InChIKeyNJCLCHLSGQJZMU-UHFFFAOYSA-N
MW169.18 g/mol
LogP-2.08
Rot. Bonds

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

2,4,7,8,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-3,6-dione (PubChem CID 164590118) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 2,4,7,8,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-3,6-dione.

Molecular Properties

Compound Name2,4,7,8,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-3,6-dione
PubChem CID164590118
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name2,4,7,8,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-3,6-dione
SMILESO=C1CN2C(=O)CNCC2CN1
InChIInChI=1S/C7H11N3O2/c11-6-4-10-5(2-9-6)1-8-3-7(10)12/h5,8H,1-4H2,(H,9,11)
InChIKeyNJCLCHLSGQJZMU-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

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Frequently Asked Questions

What is the IUPAC name of 2,4,7,8,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-3,6-dione?
The IUPAC name of 2,4,7,8,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-3,6-dione (CID 164590118) is 2,4,7,8,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-3,6-dione.
What is the SMILES notation for 2,4,7,8,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-3,6-dione?
The canonical SMILES for 2,4,7,8,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-3,6-dione is O=C1CN2C(=O)CNCC2CN1.
What is the InChIKey of 2,4,7,8,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-3,6-dione?
The InChIKey is NJCLCHLSGQJZMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c11-6-4-10-5(2-9-6)1-8-3-7(10)12/h5,8H,1-4H2,(H,9,11).
What are the key properties of 2,4,7,8,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-3,6-dione?
2,4,7,8,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-3,6-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 2,4,7,8,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-3,6-dione is sourced from PubChem (CID 164590118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).