(4-phenyldiazenylphenyl)iminocyanamide

C13H9N5 — CID 4616332

IUPAC(4-phenyldiazenylphenyl)iminocyanamide
SMILESN#C/N=N/c1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C13H9N5/c14-10-15-16-12-6-8-13(9-7-12)18-17-11-4-2-1-3-5-11/h1-9H/b16-15+,18-17+
InChIKeyUILZZYSRTCACMW-GKIXDJALSA-N
MW235.25 g/mol
LogP4.67
Rot. Bonds3

About (4-phenyldiazenylphenyl)iminocyanamide

(4-phenyldiazenylphenyl)iminocyanamide (PubChem CID 4616332) has the molecular formula C13H9N5 and a molecular weight of 235.25 g/mol. Its IUPAC name is (4-phenyldiazenylphenyl)iminocyanamide.

Molecular Properties

Compound Name(4-phenyldiazenylphenyl)iminocyanamide
PubChem CID4616332
Molecular FormulaC13H9N5
Molecular Weight235.25 g/mol
Exact Mass235.09
IUPAC Name(4-phenyldiazenylphenyl)iminocyanamide
SMILESN#C/N=N/c1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C13H9N5/c14-10-15-16-12-6-8-13(9-7-12)18-17-11-4-2-1-3-5-11/h1-9H/b16-15+,18-17+
InChIKeyUILZZYSRTCACMW-GKIXDJALSA-N
XLogP4.67
TPSA73.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-phenyldiazenylphenyl)iminocyanamide?
The IUPAC name of (4-phenyldiazenylphenyl)iminocyanamide (CID 4616332) is (4-phenyldiazenylphenyl)iminocyanamide.
What is the SMILES notation for (4-phenyldiazenylphenyl)iminocyanamide?
The canonical SMILES for (4-phenyldiazenylphenyl)iminocyanamide is N#C/N=N/c1ccc(/N=N/c2ccccc2)cc1.
What is the InChIKey of (4-phenyldiazenylphenyl)iminocyanamide?
The InChIKey is UILZZYSRTCACMW-GKIXDJALSA-N. The full InChI is InChI=1S/C13H9N5/c14-10-15-16-12-6-8-13(9-7-12)18-17-11-4-2-1-3-5-11/h1-9H/b16-15+,18-17+.
What are the key properties of (4-phenyldiazenylphenyl)iminocyanamide?
(4-phenyldiazenylphenyl)iminocyanamide has a molecular weight of 235.25 g/mol, XLogP of 4.67, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenyldiazenylphenyl)iminocyanamide is sourced from PubChem (CID 4616332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).