(4-methylcyclohexa-1,5-dien-1-yl)diazene

C7H10N2 — CID 142980862

IUPAC(4-methylcyclohexa-1,5-dien-1-yl)diazene
SMILES[H]/N=N/C1=CCC(C)C=C1
InChIInChI=1S/C7H10N2/c1-6-2-4-7(9-8)5-3-6/h2,4-6,8H,3H2,1H3/b9-8+
InChIKeyOXIRMCMFOHICAK-CMDGGOBGSA-N
MW122.17 g/mol
LogP2.50
Rot. Bonds1

About (4-methylcyclohexa-1,5-dien-1-yl)diazene

(4-methylcyclohexa-1,5-dien-1-yl)diazene (PubChem CID 142980862) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is (4-methylcyclohexa-1,5-dien-1-yl)diazene.

Molecular Properties

Compound Name(4-methylcyclohexa-1,5-dien-1-yl)diazene
PubChem CID142980862
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC Name(4-methylcyclohexa-1,5-dien-1-yl)diazene
SMILES[H]/N=N/C1=CCC(C)C=C1
InChIInChI=1S/C7H10N2/c1-6-2-4-7(9-8)5-3-6/h2,4-6,8H,3H2,1H3/b9-8+
InChIKeyOXIRMCMFOHICAK-CMDGGOBGSA-N
XLogP2.50
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 52.50
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 (4-methylcyclohexa-1,5-dien-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

Related Compounds

2-fluoro-5-methylcyclohexa-1,3-diene;hydroiodide
CID 143792431
N-(4-methylcyclohexa-1,5-dien-1-yl)hydroxylamine
CID 145306811
4-methylcyclohepta-2,6-dien-1-imine
CID 123434300
(4R)-4-methylcyclohexa-1,5-diene-1-carbaldehyde
CID 89362390
2-(4-methylcyclohexa-1,5-dien-1-yl)-2H-azirine
CID 163641813
2-[(4-methylcyclohexa-1,5-dien-1-yl)amino]ethanol
CID 144873837
N-(4-methylcyclohexa-1,5-dien-1-yl)aniline
CID 129261105
5-methyl-2-pent-2-en-3-ylcyclohexa-1,3-diene
CID 123584531
(4-methylcyclohexa-1,5-dien-1-yl) N-(oxomethylidene)carbamate
CID 89270789
5-methyl-2-(1-methylcyclobutyl)cyclohexa-1,3-diene
CID 163741635
2-(4-methylcyclohexa-1,5-dien-1-yl)oxyethanamine
CID 142950049
O-(4-methylcyclohexa-1,5-dien-1-yl) N,N-dimethylcarbamothioate
CID 118282020

Frequently Asked Questions

What is the IUPAC name of (4-methylcyclohexa-1,5-dien-1-yl)diazene?
The IUPAC name of (4-methylcyclohexa-1,5-dien-1-yl)diazene (CID 142980862) is (4-methylcyclohexa-1,5-dien-1-yl)diazene.
What is the SMILES notation for (4-methylcyclohexa-1,5-dien-1-yl)diazene?
The canonical SMILES for (4-methylcyclohexa-1,5-dien-1-yl)diazene is [H]/N=N/C1=CCC(C)C=C1.
What is the InChIKey of (4-methylcyclohexa-1,5-dien-1-yl)diazene?
The InChIKey is OXIRMCMFOHICAK-CMDGGOBGSA-N. The full InChI is InChI=1S/C7H10N2/c1-6-2-4-7(9-8)5-3-6/h2,4-6,8H,3H2,1H3/b9-8+.
What are the key properties of (4-methylcyclohexa-1,5-dien-1-yl)diazene?
(4-methylcyclohexa-1,5-dien-1-yl)diazene has a molecular weight of 122.17 g/mol, XLogP of 2.50, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylcyclohexa-1,5-dien-1-yl)diazene is sourced from PubChem (CID 142980862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).