3-diazo-6-methylcyclohexa-1,4-diene

C7H8N2 — CID 18423973

IUPAC3-diazo-6-methylcyclohexa-1,4-diene
SMILESCC1C=CC(=[N+]=[N-])C=C1
InChIInChI=1S/C7H8N2/c1-6-2-4-7(9-8)5-3-6/h2-6H,1H3
InChIKeyZAZCBMDXTIDCQJ-UHFFFAOYSA-N
MW120.15 g/mol
LogP1.42
Rot. Bonds

About 3-diazo-6-methylcyclohexa-1,4-diene

3-diazo-6-methylcyclohexa-1,4-diene (PubChem CID 18423973) has the molecular formula C7H8N2 and a molecular weight of 120.15 g/mol. Its IUPAC name is 3-diazo-6-methylcyclohexa-1,4-diene.

Molecular Properties

Compound Name3-diazo-6-methylcyclohexa-1,4-diene
PubChem CID18423973
Molecular FormulaC7H8N2
Molecular Weight120.15 g/mol
Exact Mass120.07
IUPAC Name3-diazo-6-methylcyclohexa-1,4-diene
SMILESCC1C=CC(=[N+]=[N-])C=C1
InChIInChI=1S/C7H8N2/c1-6-2-4-7(9-8)5-3-6/h2-6H,1H3
InChIKeyZAZCBMDXTIDCQJ-UHFFFAOYSA-N
XLogP1.42
TPSA36.40 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.15
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze 3-diazo-6-methylcyclohexa-1,4-diene 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 3-diazo-6-methylcyclohexa-1,4-diene?
The IUPAC name of 3-diazo-6-methylcyclohexa-1,4-diene (CID 18423973) is 3-diazo-6-methylcyclohexa-1,4-diene.
What is the SMILES notation for 3-diazo-6-methylcyclohexa-1,4-diene?
The canonical SMILES for 3-diazo-6-methylcyclohexa-1,4-diene is CC1C=CC(=[N+]=[N-])C=C1.
What is the InChIKey of 3-diazo-6-methylcyclohexa-1,4-diene?
The InChIKey is ZAZCBMDXTIDCQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2/c1-6-2-4-7(9-8)5-3-6/h2-6H,1H3.
What are the key properties of 3-diazo-6-methylcyclohexa-1,4-diene?
3-diazo-6-methylcyclohexa-1,4-diene has a molecular weight of 120.15 g/mol, XLogP of 1.42, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-diazo-6-methylcyclohexa-1,4-diene is sourced from PubChem (CID 18423973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).