N-[5-amino-2-(4-aminophenyl)phenyl]-N-oxidohydroxylamine

C12H12N3O2- — CID 163176393

IUPACN-[5-amino-2-(4-aminophenyl)phenyl]-N-oxidohydroxylamine
SMILESNc1ccc(-c2ccc(N)cc2N([O-])O)cc1
InChIInChI=1S/C12H12N3O2/c13-9-3-1-8(2-4-9)11-6-5-10(14)7-12(11)15(16)17/h1-7,16H,13-14H2/q-1
InChIKeyPZJFAOLYMDODER-UHFFFAOYSA-N
MW230.25 g/mol
LogP2.21
Rot. Bonds2

About N-[5-amino-2-(4-aminophenyl)phenyl]-N-oxidohydroxylamine

N-[5-amino-2-(4-aminophenyl)phenyl]-N-oxidohydroxylamine (PubChem CID 163176393) has the molecular formula C12H12N3O2- and a molecular weight of 230.25 g/mol. Its IUPAC name is N-[5-amino-2-(4-aminophenyl)phenyl]-N-oxidohydroxylamine.

Molecular Properties

Compound NameN-[5-amino-2-(4-aminophenyl)phenyl]-N-oxidohydroxylamine
PubChem CID163176393
Molecular FormulaC12H12N3O2-
Molecular Weight230.25 g/mol
Exact Mass230.09
IUPAC NameN-[5-amino-2-(4-aminophenyl)phenyl]-N-oxidohydroxylamine
SMILESNc1ccc(-c2ccc(N)cc2N([O-])O)cc1
InChIInChI=1S/C12H12N3O2/c13-9-3-1-8(2-4-9)11-6-5-10(14)7-12(11)15(16)17/h1-7,16H,13-14H2/q-1
InChIKeyPZJFAOLYMDODER-UHFFFAOYSA-N
XLogP2.21
TPSA98.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.25
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', '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 N-[5-amino-2-(4-aminophenyl)phenyl]-N-oxidohydroxylamine?
The IUPAC name of N-[5-amino-2-(4-aminophenyl)phenyl]-N-oxidohydroxylamine (CID 163176393) is N-[5-amino-2-(4-aminophenyl)phenyl]-N-oxidohydroxylamine.
What is the SMILES notation for N-[5-amino-2-(4-aminophenyl)phenyl]-N-oxidohydroxylamine?
The canonical SMILES for N-[5-amino-2-(4-aminophenyl)phenyl]-N-oxidohydroxylamine is Nc1ccc(-c2ccc(N)cc2N([O-])O)cc1.
What is the InChIKey of N-[5-amino-2-(4-aminophenyl)phenyl]-N-oxidohydroxylamine?
The InChIKey is PZJFAOLYMDODER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N3O2/c13-9-3-1-8(2-4-9)11-6-5-10(14)7-12(11)15(16)17/h1-7,16H,13-14H2/q-1.
What are the key properties of N-[5-amino-2-(4-aminophenyl)phenyl]-N-oxidohydroxylamine?
N-[5-amino-2-(4-aminophenyl)phenyl]-N-oxidohydroxylamine has a molecular weight of 230.25 g/mol, XLogP of 2.21, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-amino-2-(4-aminophenyl)phenyl]-N-oxidohydroxylamine is sourced from PubChem (CID 163176393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).