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

C7H12ClN3O2 — CID 71755449

IUPAC2,6,7,8,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-3,4-dione;hydrochloride
SMILESCl.O=C1NCC2CNCCN2C1=O
InChIInChI=1S/C7H11N3O2.ClH/c11-6-7(12)10-2-1-8-3-5(10)4-9-6;/h5,8H,1-4H2,(H,9,11);1H
InChIKeyOUFPCECVAIGRQO-UHFFFAOYSA-N
MW205.64 g/mol
LogP-1.66
Rot. Bonds

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

2,6,7,8,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-3,4-dione;hydrochloride (PubChem CID 71755449) has the molecular formula C7H12ClN3O2 and a molecular weight of 205.64 g/mol. Its IUPAC name is 2,6,7,8,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-3,4-dione;hydrochloride.

Molecular Properties

Compound Name2,6,7,8,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-3,4-dione;hydrochloride
PubChem CID71755449
Molecular FormulaC7H12ClN3O2
Molecular Weight205.64 g/mol
Exact Mass205.06
IUPAC Name2,6,7,8,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-3,4-dione;hydrochloride
SMILESCl.O=C1NCC2CNCCN2C1=O
InChIInChI=1S/C7H11N3O2.ClH/c11-6-7(12)10-2-1-8-3-5(10)4-9-6;/h5,8H,1-4H2,(H,9,11);1H
InChIKeyOUFPCECVAIGRQO-UHFFFAOYSA-N
XLogP-1.66
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.64
LogP ≤ 5-1.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 2,6,7,8,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-3,4-dione;hydrochloride 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 2,6,7,8,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-3,4-dione;hydrochloride?
The IUPAC name of 2,6,7,8,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-3,4-dione;hydrochloride (CID 71755449) is 2,6,7,8,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-3,4-dione;hydrochloride.
What is the SMILES notation for 2,6,7,8,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-3,4-dione;hydrochloride?
The canonical SMILES for 2,6,7,8,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-3,4-dione;hydrochloride is Cl.O=C1NCC2CNCCN2C1=O.
What is the InChIKey of 2,6,7,8,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-3,4-dione;hydrochloride?
The InChIKey is OUFPCECVAIGRQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2.ClH/c11-6-7(12)10-2-1-8-3-5(10)4-9-6;/h5,8H,1-4H2,(H,9,11);1H.
What are the key properties of 2,6,7,8,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-3,4-dione;hydrochloride?
2,6,7,8,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-3,4-dione;hydrochloride has a molecular weight of 205.64 g/mol, XLogP of -1.66, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,7,8,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-3,4-dione;hydrochloride is sourced from PubChem (CID 71755449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).