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

C7H8N2 — CID 53442857

IUPAC5-diazo-6-methylcyclohexa-1,3-diene
SMILESCC1C=CC=CC1=[N+]=[N-]
InChIInChI=1S/C7H8N2/c1-6-4-2-3-5-7(6)9-8/h2-6H,1H3
InChIKeyCIGOSQYPNPOSAD-UHFFFAOYSA-N
MW120.15 g/mol
LogP1.42
Rot. Bonds

About 5-diazo-6-methylcyclohexa-1,3-diene

5-diazo-6-methylcyclohexa-1,3-diene (PubChem CID 53442857) has the molecular formula C7H8N2 and a molecular weight of 120.15 g/mol. Its IUPAC name is 5-diazo-6-methylcyclohexa-1,3-diene.

Molecular Properties

Compound Name5-diazo-6-methylcyclohexa-1,3-diene
PubChem CID53442857
Molecular FormulaC7H8N2
Molecular Weight120.15 g/mol
Exact Mass120.07
IUPAC Name5-diazo-6-methylcyclohexa-1,3-diene
SMILESCC1C=CC=CC1=[N+]=[N-]
InChIInChI=1S/C7H8N2/c1-6-4-2-3-5-7(6)9-8/h2-6H,1H3
InChIKeyCIGOSQYPNPOSAD-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'}

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Related Compounds

Benzene, diazido-
CID 12025387
1-Methyl-2-imino-3,5-cyclohexadiene
CID 14398589
Diazobenzol
CID 18624439
p-Diazotoluol
CID 21752679
p-Dimethyldiazobenzene
CID 129817070
5-Diazo-6-(trifluoromethyl)cyclohexa-1,3-diene
CID 174487737
3-[3,3'-Dimethyl-4'-(triaz-2-yn-2-ium-1-ylidene)[1,1'-bi(cyclohexa-2,5-dien-1-ylidene)]-4-ylidene]triaz-1-en-1-ide
CID 14121606
3-Diazo-6-methylcyclohexa-1,4-diene
CID 18423973
5-Diazo-2,3-dimethylcyclohexa-1,3-diene
CID 54226095
carbanide;6-propan-2-yl-3H-pyridazin-3-ide;tungsten(2+)
CID 57856177
4-Propan-2-ylcyclohexa-3,5-diene-1,2-diimine
CID 68028429
6-Diazo-1-methylcyclohexa-1,3-diene
CID 87062544

Frequently Asked Questions

What is the IUPAC name of 5-diazo-6-methylcyclohexa-1,3-diene?
The IUPAC name of 5-diazo-6-methylcyclohexa-1,3-diene (CID 53442857) is 5-diazo-6-methylcyclohexa-1,3-diene.
What is the SMILES notation for 5-diazo-6-methylcyclohexa-1,3-diene?
The canonical SMILES for 5-diazo-6-methylcyclohexa-1,3-diene is CC1C=CC=CC1=[N+]=[N-].
What is the InChIKey of 5-diazo-6-methylcyclohexa-1,3-diene?
The InChIKey is CIGOSQYPNPOSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2/c1-6-4-2-3-5-7(6)9-8/h2-6H,1H3.
What are the key properties of 5-diazo-6-methylcyclohexa-1,3-diene?
5-diazo-6-methylcyclohexa-1,3-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 5-diazo-6-methylcyclohexa-1,3-diene is sourced from PubChem (CID 53442857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).