N-phenyldiazenylaniline

C12H11N3 — CID 8689

IUPACN-phenyldiazenylaniline
SMILESc1ccc(/N=N/Nc2ccccc2)cc1
InChIInChI=1S/C12H11N3/c1-3-7-11(8-4-1)13-15-14-12-9-5-2-6-10-12/h1-10H,(H,13,14)
InChIKeyALIFPGGMJDWMJH-UHFFFAOYSA-N
MW197.24 g/mol
LogP3.80
Rot. Bonds3

About N-phenyldiazenylaniline

N-phenyldiazenylaniline (PubChem CID 8689) has the molecular formula C12H11N3 and a molecular weight of 197.24 g/mol. Its IUPAC name is N-phenyldiazenylaniline.

Molecular Properties

Compound NameN-phenyldiazenylaniline
PubChem CID8689
Molecular FormulaC12H11N3
Molecular Weight197.24 g/mol
Exact Mass197.10
IUPAC NameN-phenyldiazenylaniline
SMILESc1ccc(/N=N/Nc2ccccc2)cc1
InChIInChI=1S/C12H11N3/c1-3-7-11(8-4-1)13-15-14-12-9-5-2-6-10-12/h1-10H,(H,13,14)
InChIKeyALIFPGGMJDWMJH-UHFFFAOYSA-N
XLogP3.80
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 53.80
H-Bond Donors ≤ 51
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'}

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Frequently Asked Questions

What is the IUPAC name of N-phenyldiazenylaniline?
The IUPAC name of N-phenyldiazenylaniline (CID 8689) is N-phenyldiazenylaniline.
What is the SMILES notation for N-phenyldiazenylaniline?
The canonical SMILES for N-phenyldiazenylaniline is c1ccc(/N=N/Nc2ccccc2)cc1.
What is the InChIKey of N-phenyldiazenylaniline?
The InChIKey is ALIFPGGMJDWMJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3/c1-3-7-11(8-4-1)13-15-14-12-9-5-2-6-10-12/h1-10H,(H,13,14).
What are the key properties of N-phenyldiazenylaniline?
N-phenyldiazenylaniline has a molecular weight of 197.24 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyldiazenylaniline is sourced from PubChem (CID 8689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).