amino-hydroxy-nitroso-phenylazanium

C6H8N3O2+ — CID 87754514

IUPACamino-hydroxy-nitroso-phenylazanium
SMILESN[N+](O)(N=O)c1ccccc1
InChIInChI=1S/C6H8N3O2/c7-9(11,8-10)6-4-2-1-3-5-6/h1-5,11H,7H2/q+1
InChIKeyRUXTUFLJDDZFPQ-UHFFFAOYSA-N
MW154.15 g/mol
LogP0.94
Rot. Bonds2

About amino-hydroxy-nitroso-phenylazanium

amino-hydroxy-nitroso-phenylazanium (PubChem CID 87754514) has the molecular formula C6H8N3O2+ and a molecular weight of 154.15 g/mol. Its IUPAC name is amino-hydroxy-nitroso-phenylazanium.

Molecular Properties

Compound Nameamino-hydroxy-nitroso-phenylazanium
PubChem CID87754514
Molecular FormulaC6H8N3O2+
Molecular Weight154.15 g/mol
Exact Mass154.06
IUPAC Nameamino-hydroxy-nitroso-phenylazanium
SMILESN[N+](O)(N=O)c1ccccc1
InChIInChI=1S/C6H8N3O2/c7-9(11,8-10)6-4-2-1-3-5-6/h1-5,11H,7H2/q+1
InChIKeyRUXTUFLJDDZFPQ-UHFFFAOYSA-N
XLogP0.94
TPSA75.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.15
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

hydroxylamine;nitrosobenzene
CID 159845524
ethyl-dihydroxy-phenylazanium
CID 163736186
(triphenylazaniumyl)formate
CID 70464916
diethyl-hydroxy-phenylazanium
CID 132988834
nitrous acid;toluene
CID 156614054
1,2-diphenylethane-1,2-dione;sulfane
CID 159672950
[amino(phenyl)methylidene]carbamic acid
CID 54409873
oxalate;bis(trimethyl(phenyl)azanium)
CID 66900184
diphenyldiazene;urea
CID 175083568
benzene-1,2-diamine;carbonic acid
CID 22256139
carbamic acid;naphthalene
CID 162082147
trimethyl(phenyl)azanium fluoride
CID 15787908

Frequently Asked Questions

What is the IUPAC name of amino-hydroxy-nitroso-phenylazanium?
The IUPAC name of amino-hydroxy-nitroso-phenylazanium (CID 87754514) is amino-hydroxy-nitroso-phenylazanium.
What is the SMILES notation for amino-hydroxy-nitroso-phenylazanium?
The canonical SMILES for amino-hydroxy-nitroso-phenylazanium is N[N+](O)(N=O)c1ccccc1.
What is the InChIKey of amino-hydroxy-nitroso-phenylazanium?
The InChIKey is RUXTUFLJDDZFPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N3O2/c7-9(11,8-10)6-4-2-1-3-5-6/h1-5,11H,7H2/q+1.
What are the key properties of amino-hydroxy-nitroso-phenylazanium?
amino-hydroxy-nitroso-phenylazanium has a molecular weight of 154.15 g/mol, XLogP of 0.94, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for amino-hydroxy-nitroso-phenylazanium is sourced from PubChem (CID 87754514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).