azanium (Z)-oxido-oxidoimino-phenylazanium

C6H9N3O2 — CID 135465076

IUPACazanium (Z)-oxido-oxidoimino-phenylazanium
SMILES[NH4+].[O-]/N=[N+](\[O-])c1ccccc1
InChIInChI=1S/C6H6N2O2.H3N/c9-7-8(10)6-4-2-1-3-5-6;/h1-5,9H;1H3/b8-7-;
InChIKeyGXCSNALCLRPEAS-CFYXSCKTSA-N
MW155.16 g/mol
LogP2.15
Rot. Bonds1

About azanium (Z)-oxido-oxidoimino-phenylazanium

azanium (Z)-oxido-oxidoimino-phenylazanium (PubChem CID 135465076) has the molecular formula C6H9N3O2 and a molecular weight of 155.16 g/mol. Its IUPAC name is azanium (Z)-oxido-oxidoimino-phenylazanium.

Molecular Properties

Compound Nameazanium (Z)-oxido-oxidoimino-phenylazanium
PubChem CID135465076
Molecular FormulaC6H9N3O2
Molecular Weight155.16 g/mol
Exact Mass155.07
IUPAC Nameazanium (Z)-oxido-oxidoimino-phenylazanium
SMILES[NH4+].[O-]/N=[N+](\[O-])c1ccccc1
InChIInChI=1S/C6H6N2O2.H3N/c9-7-8(10)6-4-2-1-3-5-6;/h1-5,9H;1H3/b8-7-;
InChIKeyGXCSNALCLRPEAS-CFYXSCKTSA-N
XLogP2.15
TPSA97.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 52.15
H-Bond Donors ≤ 51
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': 'N_oxide', '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

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CID 7416
4-Nitroaniline
CID 7475
N-Phenylhydroxylamine
CID 7518
1,4-Dinitrobenzene
CID 7492
Azoxybenzene
CID 10316
Azobenzene
CID 2272
1,4-Dinitrosobenzene
CID 66921
p-Fluoronitrobenzene
CID 9590
Nitrosobenzene
CID 11473
Cupferron
CID 2724103
1,4-Benzoquinone dioxime
CID 7737
1-Iodo-3-nitrobenzene
CID 12574

Frequently Asked Questions

What is the IUPAC name of azanium (Z)-oxido-oxidoimino-phenylazanium?
The IUPAC name of azanium (Z)-oxido-oxidoimino-phenylazanium (CID 135465076) is azanium (Z)-oxido-oxidoimino-phenylazanium.
What is the SMILES notation for azanium (Z)-oxido-oxidoimino-phenylazanium?
The canonical SMILES for azanium (Z)-oxido-oxidoimino-phenylazanium is [NH4+].[O-]/N=[N+](\[O-])c1ccccc1.
What is the InChIKey of azanium (Z)-oxido-oxidoimino-phenylazanium?
The InChIKey is GXCSNALCLRPEAS-CFYXSCKTSA-N. The full InChI is InChI=1S/C6H6N2O2.H3N/c9-7-8(10)6-4-2-1-3-5-6;/h1-5,9H;1H3/b8-7-;.
What are the key properties of azanium (Z)-oxido-oxidoimino-phenylazanium?
azanium (Z)-oxido-oxidoimino-phenylazanium has a molecular weight of 155.16 g/mol, XLogP of 2.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azanium (Z)-oxido-oxidoimino-phenylazanium is sourced from PubChem (CID 135465076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).