sodium hydroxyimino-oxido-piperazin-1-ylazanium

C4H10N4NaO2+ — CID 136884003

IUPACsodium hydroxyimino-oxido-piperazin-1-ylazanium
SMILES[Na+].[O-][N+](=NO)N1CCNCC1
InChIInChI=1S/C4H10N4O2.Na/c9-6-8(10)7-3-1-5-2-4-7;/h5,9H,1-4H2;/q;+1
InChIKeyISZIICHWMUSEGS-UHFFFAOYSA-N
MW169.14 g/mol
LogP-3.84
Rot. Bonds1

About sodium hydroxyimino-oxido-piperazin-1-ylazanium

sodium hydroxyimino-oxido-piperazin-1-ylazanium (PubChem CID 136884003) has the molecular formula C4H10N4NaO2+ and a molecular weight of 169.14 g/mol. Its IUPAC name is sodium hydroxyimino-oxido-piperazin-1-ylazanium.

Molecular Properties

Compound Namesodium hydroxyimino-oxido-piperazin-1-ylazanium
PubChem CID136884003
Molecular FormulaC4H10N4NaO2+
Molecular Weight169.14 g/mol
Exact Mass169.07
IUPAC Namesodium hydroxyimino-oxido-piperazin-1-ylazanium
SMILES[Na+].[O-][N+](=NO)N1CCNCC1
InChIInChI=1S/C4H10N4O2.Na/c9-6-8(10)7-3-1-5-2-4-7;/h5,9H,1-4H2;/q;+1
InChIKeyISZIICHWMUSEGS-UHFFFAOYSA-N
XLogP-3.84
TPSA73.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.14
LogP ≤ 5-3.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-oxido-oxidoimino-[11-[(Z)-oxido(oxidoimino)azaniumyl]-1,4,8,11-tetrazacyclotetradec-1-yl]azanium
CID 135967006
1-nitroimidazolidine
CID 22048141
hydroxyimino-[2-(hydroxymethyl)pyrrolidin-1-yl]-oxidoazanium
CID 136700336
imino(dioxido)azanium;piperazine
CID 22022818
sodium piperazine-1-carbodithioate
CID 23689359
(2E)-2-hydroxyimino-1-piperazin-1-ylethanone
CID 153463003
N-piperazin-1-ylhydroxylamine
CID 152922151
1-methanidylpiperazine
CID 20723184
5-nitro-2-piperazin-1-ylpyrimidine;hydrochloride
CID 171935098
2-piperazin-1-ylacetyl iodide
CID 153235141
sodium;1-methylpiperazine;carbamodithioate
CID 23667321
1-but-3-ynylpiperazine
CID 24700258

Frequently Asked Questions

What is the IUPAC name of sodium hydroxyimino-oxido-piperazin-1-ylazanium?
The IUPAC name of sodium hydroxyimino-oxido-piperazin-1-ylazanium (CID 136884003) is sodium hydroxyimino-oxido-piperazin-1-ylazanium.
What is the SMILES notation for sodium hydroxyimino-oxido-piperazin-1-ylazanium?
The canonical SMILES for sodium hydroxyimino-oxido-piperazin-1-ylazanium is [Na+].[O-][N+](=NO)N1CCNCC1.
What is the InChIKey of sodium hydroxyimino-oxido-piperazin-1-ylazanium?
The InChIKey is ISZIICHWMUSEGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N4O2.Na/c9-6-8(10)7-3-1-5-2-4-7;/h5,9H,1-4H2;/q;+1.
What are the key properties of sodium hydroxyimino-oxido-piperazin-1-ylazanium?
sodium hydroxyimino-oxido-piperazin-1-ylazanium has a molecular weight of 169.14 g/mol, XLogP of -3.84, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium hydroxyimino-oxido-piperazin-1-ylazanium is sourced from PubChem (CID 136884003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).