nitramide;piperazine

C8H22N6O2 — CID 174884575

IUPACnitramide;piperazine
SMILESC1CNCCN1.C1CNCCN1.N[N+](=O)[O-]
InChIInChI=1S/2C4H10N2.H2N2O2/c2*1-2-6-4-3-5-1;1-2(3)4/h2*5-6H,1-4H2;1H2
InChIKeyOMBMIKPDQNSVGO-UHFFFAOYSA-N
MW234.30 g/mol
LogP-2.50
Rot. Bonds

About nitramide;piperazine

nitramide;piperazine (PubChem CID 174884575) has the molecular formula C8H22N6O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is nitramide;piperazine.

Molecular Properties

Compound Namenitramide;piperazine
PubChem CID174884575
Molecular FormulaC8H22N6O2
Molecular Weight234.30 g/mol
Exact Mass234.18
IUPAC Namenitramide;piperazine
SMILESC1CNCCN1.C1CNCCN1.N[N+](=O)[O-]
InChIInChI=1S/2C4H10N2.H2N2O2/c2*1-2-6-4-3-5-1;1-2(3)4/h2*5-6H,1-4H2;1H2
InChIKeyOMBMIKPDQNSVGO-UHFFFAOYSA-N
XLogP-2.50
TPSA117.28 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 5-2.50
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of nitramide;piperazine?
The IUPAC name of nitramide;piperazine (CID 174884575) is nitramide;piperazine.
What is the SMILES notation for nitramide;piperazine?
The canonical SMILES for nitramide;piperazine is C1CNCCN1.C1CNCCN1.N[N+](=O)[O-].
What is the InChIKey of nitramide;piperazine?
The InChIKey is OMBMIKPDQNSVGO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H10N2.H2N2O2/c2*1-2-6-4-3-5-1;1-2(3)4/h2*5-6H,1-4H2;1H2.
What are the key properties of nitramide;piperazine?
nitramide;piperazine has a molecular weight of 234.30 g/mol, XLogP of -2.50, 0 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for nitramide;piperazine is sourced from PubChem (CID 174884575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).