1,4-dinitrosopiperazine

C4H8N4O2 — CID 8819

IUPAC1,4-dinitrosopiperazine
SMILESO=NN1CCN(N=O)CC1
InChIInChI=1S/C4H8N4O2/c9-5-7-1-2-8(6-10)4-3-7/h1-4H2
InChIKeyWNSYEWGYAFFSSQ-UHFFFAOYSA-N
MW144.13 g/mol
LogP-0.03
Rot. Bonds2

About 1,4-dinitrosopiperazine

1,4-dinitrosopiperazine (PubChem CID 8819) has the molecular formula C4H8N4O2 and a molecular weight of 144.13 g/mol. Its IUPAC name is 1,4-dinitrosopiperazine.

Molecular Properties

Compound Name1,4-dinitrosopiperazine
PubChem CID8819
Molecular FormulaC4H8N4O2
Molecular Weight144.13 g/mol
Exact Mass144.06
IUPAC Name1,4-dinitrosopiperazine
SMILESO=NN1CCN(N=O)CC1
InChIInChI=1S/C4H8N4O2/c9-5-7-1-2-8(6-10)4-3-7/h1-4H2
InChIKeyWNSYEWGYAFFSSQ-UHFFFAOYSA-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 ≤ 500144.13
LogP ≤ 5-0.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,4-dinitrosopiperazine?
The IUPAC name of 1,4-dinitrosopiperazine (CID 8819) is 1,4-dinitrosopiperazine.
What is the SMILES notation for 1,4-dinitrosopiperazine?
The canonical SMILES for 1,4-dinitrosopiperazine is O=NN1CCN(N=O)CC1.
What is the InChIKey of 1,4-dinitrosopiperazine?
The InChIKey is WNSYEWGYAFFSSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N4O2/c9-5-7-1-2-8(6-10)4-3-7/h1-4H2.
What are the key properties of 1,4-dinitrosopiperazine?
1,4-dinitrosopiperazine has a molecular weight of 144.13 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 1,4-dinitrosopiperazine is sourced from PubChem (CID 8819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).