azane;(Z)-hydroxy-hydroxyimino-phenylazanium

C6H10N3O2+ — CID 137214743

IUPACazane;(Z)-hydroxy-hydroxyimino-phenylazanium
SMILESN.O/N=[N+](\O)c1ccccc1
InChIInChI=1S/C6H6N2O2.H3N/c9-7-8(10)6-4-2-1-3-5-6;/h1-5,10H;1H3/p+1
InChIKeyNJVHCUNZAMFQNA-UHFFFAOYSA-O
MW156.16 g/mol
LogP1.72
Rot. Bonds1

About azane;(Z)-hydroxy-hydroxyimino-phenylazanium

azane;(Z)-hydroxy-hydroxyimino-phenylazanium (PubChem CID 137214743) has the molecular formula C6H10N3O2+ and a molecular weight of 156.16 g/mol. Its IUPAC name is azane;(Z)-hydroxy-hydroxyimino-phenylazanium.

Molecular Properties

Compound Nameazane;(Z)-hydroxy-hydroxyimino-phenylazanium
PubChem CID137214743
Molecular FormulaC6H10N3O2+
Molecular Weight156.16 g/mol
Exact Mass156.08
IUPAC Nameazane;(Z)-hydroxy-hydroxyimino-phenylazanium
SMILESN.O/N=[N+](\O)c1ccccc1
InChIInChI=1S/C6H6N2O2.H3N/c9-7-8(10)6-4-2-1-3-5-6;/h1-5,10H;1H3/p+1
InChIKeyNJVHCUNZAMFQNA-UHFFFAOYSA-O
XLogP1.72
TPSA90.83 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.16
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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

Nitrobenzene
CID 7416
N-Phenylhydroxylamine
CID 7518
Azoxybenzene
CID 10316
Azobenzene
CID 2272
1,4-Dinitrosobenzene
CID 66921
Nitrosobenzene
CID 11473
Cupferron
CID 2724103
1,4-Benzoquinone dioxime
CID 7737
3-Aminophenylboronic acid
CID 92269
Nitrobenzene-d5
CID 123210
N-Nitroso-N-phenylhydroxylamine
CID 135418564
Azidobenzene
CID 69319

Frequently Asked Questions

What is the IUPAC name of azane;(Z)-hydroxy-hydroxyimino-phenylazanium?
The IUPAC name of azane;(Z)-hydroxy-hydroxyimino-phenylazanium (CID 137214743) is azane;(Z)-hydroxy-hydroxyimino-phenylazanium.
What is the SMILES notation for azane;(Z)-hydroxy-hydroxyimino-phenylazanium?
The canonical SMILES for azane;(Z)-hydroxy-hydroxyimino-phenylazanium is N.O/N=[N+](\O)c1ccccc1.
What is the InChIKey of azane;(Z)-hydroxy-hydroxyimino-phenylazanium?
The InChIKey is NJVHCUNZAMFQNA-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H6N2O2.H3N/c9-7-8(10)6-4-2-1-3-5-6;/h1-5,10H;1H3/p+1.
What are the key properties of azane;(Z)-hydroxy-hydroxyimino-phenylazanium?
azane;(Z)-hydroxy-hydroxyimino-phenylazanium has a molecular weight of 156.16 g/mol, XLogP of 1.72, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;(Z)-hydroxy-hydroxyimino-phenylazanium is sourced from PubChem (CID 137214743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).