2,2,3,3,5,5,6,6-octadeuterio-1,4-dinitrosopiperazine

C4H8N4O2 — CID 121487925

IUPAC2,2,3,3,5,5,6,6-octadeuterio-1,4-dinitrosopiperazine
SMILES[2H]C1([2H])N(N=O)C([2H])([2H])C([2H])([2H])N(N=O)C1([2H])[2H]
InChIInChI=1S/C4H8N4O2/c9-5-7-1-2-8(6-10)4-3-7/h1-4H2/i1D2,2D2,3D2,4D2
InChIKeyWNSYEWGYAFFSSQ-SVYQBANQSA-N
MW152.18 g/mol
LogP-0.03
Rot. Bonds2

About 2,2,3,3,5,5,6,6-octadeuterio-1,4-dinitrosopiperazine

2,2,3,3,5,5,6,6-octadeuterio-1,4-dinitrosopiperazine (PubChem CID 121487925) has the molecular formula C4H8N4O2 and a molecular weight of 152.18 g/mol. Its IUPAC name is 2,2,3,3,5,5,6,6-octadeuterio-1,4-dinitrosopiperazine.

Molecular Properties

Compound Name2,2,3,3,5,5,6,6-octadeuterio-1,4-dinitrosopiperazine
PubChem CID121487925
Molecular FormulaC4H8N4O2
Molecular Weight152.18 g/mol
Exact Mass152.11
IUPAC Name2,2,3,3,5,5,6,6-octadeuterio-1,4-dinitrosopiperazine
SMILES[2H]C1([2H])N(N=O)C([2H])([2H])C([2H])([2H])N(N=O)C1([2H])[2H]
InChIInChI=1S/C4H8N4O2/c9-5-7-1-2-8(6-10)4-3-7/h1-4H2/i1D2,2D2,3D2,4D2
InChIKeyWNSYEWGYAFFSSQ-SVYQBANQSA-N
XLogP-0.03
TPSA65.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.18
LogP ≤ 5-0.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2,2,3,3,5,5,6,6-octadeuterio-1,4-dinitrosopiperazine 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 2,2,3,3,5,5,6,6-octadeuterio-1,4-dinitrosopiperazine?
The IUPAC name of 2,2,3,3,5,5,6,6-octadeuterio-1,4-dinitrosopiperazine (CID 121487925) is 2,2,3,3,5,5,6,6-octadeuterio-1,4-dinitrosopiperazine.
What is the SMILES notation for 2,2,3,3,5,5,6,6-octadeuterio-1,4-dinitrosopiperazine?
The canonical SMILES for 2,2,3,3,5,5,6,6-octadeuterio-1,4-dinitrosopiperazine is [2H]C1([2H])N(N=O)C([2H])([2H])C([2H])([2H])N(N=O)C1([2H])[2H].
What is the InChIKey of 2,2,3,3,5,5,6,6-octadeuterio-1,4-dinitrosopiperazine?
The InChIKey is WNSYEWGYAFFSSQ-SVYQBANQSA-N. The full InChI is InChI=1S/C4H8N4O2/c9-5-7-1-2-8(6-10)4-3-7/h1-4H2/i1D2,2D2,3D2,4D2.
What are the key properties of 2,2,3,3,5,5,6,6-octadeuterio-1,4-dinitrosopiperazine?
2,2,3,3,5,5,6,6-octadeuterio-1,4-dinitrosopiperazine has a molecular weight of 152.18 g/mol, XLogP of -0.03, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,5,5,6,6-octadeuterio-1,4-dinitrosopiperazine is sourced from PubChem (CID 121487925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).