(5-methylcyclohepta-1,3,6-trien-1-yl)diazene

C8H10N2 — CID 123492209

IUPAC(5-methylcyclohepta-1,3,6-trien-1-yl)diazene
SMILES[H]/N=N/C1=CC=CC(C)C=C1
InChIInChI=1S/C8H10N2/c1-7-3-2-4-8(10-9)6-5-7/h2-7,9H,1H3/b10-9+
InChIKeyBKAUNMAXTYAPTM-MDZDMXLPSA-N
MW134.18 g/mol
LogP2.66
Rot. Bonds1

About (5-methylcyclohepta-1,3,6-trien-1-yl)diazene

(5-methylcyclohepta-1,3,6-trien-1-yl)diazene (PubChem CID 123492209) has the molecular formula C8H10N2 and a molecular weight of 134.18 g/mol. Its IUPAC name is (5-methylcyclohepta-1,3,6-trien-1-yl)diazene.

Molecular Properties

Compound Name(5-methylcyclohepta-1,3,6-trien-1-yl)diazene
PubChem CID123492209
Molecular FormulaC8H10N2
Molecular Weight134.18 g/mol
Exact Mass134.08
IUPAC Name(5-methylcyclohepta-1,3,6-trien-1-yl)diazene
SMILES[H]/N=N/C1=CC=CC(C)C=C1
InChIInChI=1S/C8H10N2/c1-7-3-2-4-8(10-9)6-5-7/h2-7,9H,1H3/b10-9+
InChIKeyBKAUNMAXTYAPTM-MDZDMXLPSA-N
XLogP2.66
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 52.66
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'}

Analyze (5-methylcyclohepta-1,3,6-trien-1-yl)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 (5-methylcyclohepta-1,3,6-trien-1-yl)diazene?
The IUPAC name of (5-methylcyclohepta-1,3,6-trien-1-yl)diazene (CID 123492209) is (5-methylcyclohepta-1,3,6-trien-1-yl)diazene.
What is the SMILES notation for (5-methylcyclohepta-1,3,6-trien-1-yl)diazene?
The canonical SMILES for (5-methylcyclohepta-1,3,6-trien-1-yl)diazene is [H]/N=N/C1=CC=CC(C)C=C1.
What is the InChIKey of (5-methylcyclohepta-1,3,6-trien-1-yl)diazene?
The InChIKey is BKAUNMAXTYAPTM-MDZDMXLPSA-N. The full InChI is InChI=1S/C8H10N2/c1-7-3-2-4-8(10-9)6-5-7/h2-7,9H,1H3/b10-9+.
What are the key properties of (5-methylcyclohepta-1,3,6-trien-1-yl)diazene?
(5-methylcyclohepta-1,3,6-trien-1-yl)diazene has a molecular weight of 134.18 g/mol, XLogP of 2.66, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylcyclohepta-1,3,6-trien-1-yl)diazene is sourced from PubChem (CID 123492209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).