amino-oxo-(4-pyridin-4-yloxyphenyl)azanium

C11H10N3O2+ — CID 90945508

IUPACamino-oxo-(4-pyridin-4-yloxyphenyl)azanium
SMILESN[N+](=O)c1ccc(Oc2ccncc2)cc1
InChIInChI=1S/C11H10N3O2/c12-14(15)9-1-3-10(4-2-9)16-11-5-7-13-8-6-11/h1-8H,(H2,12,15)/q+1
InChIKeyJQZGNVWAWWKSTE-UHFFFAOYSA-N
MW216.22 g/mol
LogP2.16
Rot. Bonds3

About amino-oxo-(4-pyridin-4-yloxyphenyl)azanium

amino-oxo-(4-pyridin-4-yloxyphenyl)azanium (PubChem CID 90945508) has the molecular formula C11H10N3O2+ and a molecular weight of 216.22 g/mol. Its IUPAC name is amino-oxo-(4-pyridin-4-yloxyphenyl)azanium.

Molecular Properties

Compound Nameamino-oxo-(4-pyridin-4-yloxyphenyl)azanium
PubChem CID90945508
Molecular FormulaC11H10N3O2+
Molecular Weight216.22 g/mol
Exact Mass216.08
IUPAC Nameamino-oxo-(4-pyridin-4-yloxyphenyl)azanium
SMILESN[N+](=O)c1ccc(Oc2ccncc2)cc1
InChIInChI=1S/C11H10N3O2/c12-14(15)9-1-3-10(4-2-9)16-11-5-7-13-8-6-11/h1-8H,(H2,12,15)/q+1
InChIKeyJQZGNVWAWWKSTE-UHFFFAOYSA-N
XLogP2.16
TPSA68.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.22
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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_1', 'substructure': 'N/A'}

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Related Compounds

amino-(3-methyl-4-pyridin-4-yloxyphenyl)-oxoazanium
CID 173128568
N-(4-pyridin-4-yloxyphenyl)acetamide
CID 49363593
2-(4-pyridin-4-yloxyphenyl)acetic acid
CID 61395502
2-(4-pyridin-4-yloxyphenyl)acetic acid;hydrochloride
CID 71756945
2-nitro-N-(4-pyridin-4-yloxyphenyl)aniline
CID 146172805
4-(3,5-dimethoxyphenoxy)pyridine
CID 90751053
4-nitropyridine;hydrate
CID 132647818
1-[4-(aminomethyl)phenyl]-3-(4-pyridin-4-yloxyphenyl)urea
CID 58659391
azane;4-(4-fluorophenyl)-6-(4-pyridin-4-yloxyphenyl)pyrimidin-2-amine
CID 68519512
4-(2,3-dihydro-1H-inden-5-yloxy)pyridine
CID 57051000
N'-(4-fluorophenyl)-N-(4-pyridin-4-yloxyphenyl)oxamide
CID 11439538
[5-(4-nitrophenoxy)-3-pyridinyl]methanamine
CID 113469595

Frequently Asked Questions

What is the IUPAC name of amino-oxo-(4-pyridin-4-yloxyphenyl)azanium?
The IUPAC name of amino-oxo-(4-pyridin-4-yloxyphenyl)azanium (CID 90945508) is amino-oxo-(4-pyridin-4-yloxyphenyl)azanium.
What is the SMILES notation for amino-oxo-(4-pyridin-4-yloxyphenyl)azanium?
The canonical SMILES for amino-oxo-(4-pyridin-4-yloxyphenyl)azanium is N[N+](=O)c1ccc(Oc2ccncc2)cc1.
What is the InChIKey of amino-oxo-(4-pyridin-4-yloxyphenyl)azanium?
The InChIKey is JQZGNVWAWWKSTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N3O2/c12-14(15)9-1-3-10(4-2-9)16-11-5-7-13-8-6-11/h1-8H,(H2,12,15)/q+1.
What are the key properties of amino-oxo-(4-pyridin-4-yloxyphenyl)azanium?
amino-oxo-(4-pyridin-4-yloxyphenyl)azanium has a molecular weight of 216.22 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for amino-oxo-(4-pyridin-4-yloxyphenyl)azanium is sourced from PubChem (CID 90945508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).