methyl(phenyl)diazene

C7H8N2 — CID 6451992

IUPACmethyl(phenyl)diazene
SMILESC/N=N/c1ccccc1
InChIInChI=1S/C7H8N2/c1-8-9-7-5-3-2-4-6-7/h2-6H,1H3/b9-8+
InChIKeySHHIUWFOBYRJAM-CMDGGOBGSA-N
MW120.15 g/mol
LogP2.40
Rot. Bonds1

About methyl(phenyl)diazene

methyl(phenyl)diazene (PubChem CID 6451992) has the molecular formula C7H8N2 and a molecular weight of 120.15 g/mol. Its IUPAC name is methyl(phenyl)diazene.

Molecular Properties

Compound Namemethyl(phenyl)diazene
PubChem CID6451992
Molecular FormulaC7H8N2
Molecular Weight120.15 g/mol
Exact Mass120.07
IUPAC Namemethyl(phenyl)diazene
SMILESC/N=N/c1ccccc1
InChIInChI=1S/C7H8N2/c1-8-9-7-5-3-2-4-6-7/h2-6H,1H3/b9-8+
InChIKeySHHIUWFOBYRJAM-CMDGGOBGSA-N
XLogP2.40
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.15
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze methyl(phenyl)diazene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl(phenyl)diazene?
The IUPAC name of methyl(phenyl)diazene (CID 6451992) is methyl(phenyl)diazene.
What is the SMILES notation for methyl(phenyl)diazene?
The canonical SMILES for methyl(phenyl)diazene is C/N=N/c1ccccc1.
What is the InChIKey of methyl(phenyl)diazene?
The InChIKey is SHHIUWFOBYRJAM-CMDGGOBGSA-N. The full InChI is InChI=1S/C7H8N2/c1-8-9-7-5-3-2-4-6-7/h2-6H,1H3/b9-8+.
What are the key properties of methyl(phenyl)diazene?
methyl(phenyl)diazene has a molecular weight of 120.15 g/mol, XLogP of 2.40, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl(phenyl)diazene is sourced from PubChem (CID 6451992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).