azanium N-oxido-N-phenylnitrous amide

C6H9N3O2 — CID 2724103

IUPACazanium N-oxido-N-phenylnitrous amide
SMILESO=NN([O-])c1ccccc1.[NH4+]
InChIInChI=1S/C6H5N2O2.H3N/c9-7-8(10)6-4-2-1-3-5-6;/h1-5H;1H3/q-1;/p+1
InChIKeyGDEBSAWXIHEMNF-UHFFFAOYSA-O
MW155.16 g/mol
LogP2.05
Rot. Bonds2

About azanium N-oxido-N-phenylnitrous amide

azanium N-oxido-N-phenylnitrous amide (PubChem CID 2724103) has the molecular formula C6H9N3O2 and a molecular weight of 155.16 g/mol. Its IUPAC name is azanium N-oxido-N-phenylnitrous amide.

Molecular Properties

Compound Nameazanium N-oxido-N-phenylnitrous amide
PubChem CID2724103
Molecular FormulaC6H9N3O2
Molecular Weight155.16 g/mol
Exact Mass155.07
IUPAC Nameazanium N-oxido-N-phenylnitrous amide
SMILESO=NN([O-])c1ccccc1.[NH4+]
InChIInChI=1S/C6H5N2O2.H3N/c9-7-8(10)6-4-2-1-3-5-6;/h1-5H;1H3/q-1;/p+1
InChIKeyGDEBSAWXIHEMNF-UHFFFAOYSA-O
XLogP2.05
TPSA92.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-nitroso', '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 azanium N-oxido-N-phenylnitrous amide?
The IUPAC name of azanium N-oxido-N-phenylnitrous amide (CID 2724103) is azanium N-oxido-N-phenylnitrous amide.
What is the SMILES notation for azanium N-oxido-N-phenylnitrous amide?
The canonical SMILES for azanium N-oxido-N-phenylnitrous amide is O=NN([O-])c1ccccc1.[NH4+].
What is the InChIKey of azanium N-oxido-N-phenylnitrous amide?
The InChIKey is GDEBSAWXIHEMNF-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H5N2O2.H3N/c9-7-8(10)6-4-2-1-3-5-6;/h1-5H;1H3/q-1;/p+1.
What are the key properties of azanium N-oxido-N-phenylnitrous amide?
azanium N-oxido-N-phenylnitrous amide has a molecular weight of 155.16 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azanium N-oxido-N-phenylnitrous amide is sourced from PubChem (CID 2724103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).