imino(dioxido)azanium;piperazine

C4H11N4O2- — CID 22022818

IUPACimino(dioxido)azanium;piperazine
SMILESC1CNCCN1.[H]N=[N+]([O-])[O-]
InChIInChI=1S/C4H10N2.HN2O2/c1-2-6-4-3-5-1;1-2(3)4/h5-6H,1-4H2;(H-,1,3,4)/q;-1
InChIKeyWJISMNUUABBGRN-UHFFFAOYSA-N
MW147.16 g/mol
LogP-0.80
Rot. Bonds

About imino(dioxido)azanium;piperazine

imino(dioxido)azanium;piperazine (PubChem CID 22022818) has the molecular formula C4H11N4O2- and a molecular weight of 147.16 g/mol. Its IUPAC name is imino(dioxido)azanium;piperazine.

Molecular Properties

Compound Nameimino(dioxido)azanium;piperazine
PubChem CID22022818
Molecular FormulaC4H11N4O2-
Molecular Weight147.16 g/mol
Exact Mass147.09
IUPAC Nameimino(dioxido)azanium;piperazine
SMILESC1CNCCN1.[H]N=[N+]([O-])[O-]
InChIInChI=1S/C4H10N2.HN2O2/c1-2-6-4-3-5-1;1-2(3)4/h5-6H,1-4H2;(H-,1,3,4)/q;-1
InChIKeyWJISMNUUABBGRN-UHFFFAOYSA-N
XLogP-0.80
TPSA97.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.16
LogP ≤ 5-0.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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'}

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Frequently Asked Questions

What is the IUPAC name of imino(dioxido)azanium;piperazine?
The IUPAC name of imino(dioxido)azanium;piperazine (CID 22022818) is imino(dioxido)azanium;piperazine.
What is the SMILES notation for imino(dioxido)azanium;piperazine?
The canonical SMILES for imino(dioxido)azanium;piperazine is C1CNCCN1.[H]N=[N+]([O-])[O-].
What is the InChIKey of imino(dioxido)azanium;piperazine?
The InChIKey is WJISMNUUABBGRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2.HN2O2/c1-2-6-4-3-5-1;1-2(3)4/h5-6H,1-4H2;(H-,1,3,4)/q;-1.
What are the key properties of imino(dioxido)azanium;piperazine?
imino(dioxido)azanium;piperazine has a molecular weight of 147.16 g/mol, XLogP of -0.80, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for imino(dioxido)azanium;piperazine is sourced from PubChem (CID 22022818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).