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

C7H9N3O2 — CID 170158191

IUPAC3,6,7,8-tetrahydro-2H-pyrazino[1,2-a]pyrazine-1,4-dione
SMILESO=C1NCC(=O)N2CCNC=C12
InChIInChI=1S/C7H9N3O2/c11-6-4-9-7(12)5-3-8-1-2-10(5)6/h3,8H,1-2,4H2,(H,9,12)
InChIKeyTXQDKXGYAHGHFR-UHFFFAOYSA-N
MW167.17 g/mol
LogP-1.61
Rot. Bonds

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

3,6,7,8-tetrahydro-2H-pyrazino[1,2-a]pyrazine-1,4-dione (PubChem CID 170158191) has the molecular formula C7H9N3O2 and a molecular weight of 167.17 g/mol. Its IUPAC name is 3,6,7,8-tetrahydro-2H-pyrazino[1,2-a]pyrazine-1,4-dione.

Molecular Properties

Compound Name3,6,7,8-tetrahydro-2H-pyrazino[1,2-a]pyrazine-1,4-dione
PubChem CID170158191
Molecular FormulaC7H9N3O2
Molecular Weight167.17 g/mol
Exact Mass167.07
IUPAC Name3,6,7,8-tetrahydro-2H-pyrazino[1,2-a]pyrazine-1,4-dione
SMILESO=C1NCC(=O)N2CCNC=C12
InChIInChI=1S/C7H9N3O2/c11-6-4-9-7(12)5-3-8-1-2-10(5)6/h3,8H,1-2,4H2,(H,9,12)
InChIKeyTXQDKXGYAHGHFR-UHFFFAOYSA-N
XLogP-1.61
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 5-1.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,6,7,8-tetrahydro-2H-pyrazino[1,2-a]pyrazine-1,4-dione?
The IUPAC name of 3,6,7,8-tetrahydro-2H-pyrazino[1,2-a]pyrazine-1,4-dione (CID 170158191) is 3,6,7,8-tetrahydro-2H-pyrazino[1,2-a]pyrazine-1,4-dione.
What is the SMILES notation for 3,6,7,8-tetrahydro-2H-pyrazino[1,2-a]pyrazine-1,4-dione?
The canonical SMILES for 3,6,7,8-tetrahydro-2H-pyrazino[1,2-a]pyrazine-1,4-dione is O=C1NCC(=O)N2CCNC=C12.
What is the InChIKey of 3,6,7,8-tetrahydro-2H-pyrazino[1,2-a]pyrazine-1,4-dione?
The InChIKey is TXQDKXGYAHGHFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2/c11-6-4-9-7(12)5-3-8-1-2-10(5)6/h3,8H,1-2,4H2,(H,9,12).
What are the key properties of 3,6,7,8-tetrahydro-2H-pyrazino[1,2-a]pyrazine-1,4-dione?
3,6,7,8-tetrahydro-2H-pyrazino[1,2-a]pyrazine-1,4-dione has a molecular weight of 167.17 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 3,6,7,8-tetrahydro-2H-pyrazino[1,2-a]pyrazine-1,4-dione is sourced from PubChem (CID 170158191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).