4-bromo-6-diazo-N,N-dimethylcyclohexa-2,4-dien-1-amine

C8H10BrN3 — CID 18952727

IUPAC4-bromo-6-diazo-N,N-dimethylcyclohexa-2,4-dien-1-amine
SMILESCN(C)C1C=CC(Br)=CC1=[N+]=[N-]
InChIInChI=1S/C8H10BrN3/c1-12(2)8-4-3-6(9)5-7(8)11-10/h3-5,8H,1-2H3
InChIKeyZVAPKNITDAIICR-UHFFFAOYSA-N
MW228.09 g/mol
LogP1.44
Rot. Bonds1

About 4-bromo-6-diazo-N,N-dimethylcyclohexa-2,4-dien-1-amine

4-bromo-6-diazo-N,N-dimethylcyclohexa-2,4-dien-1-amine (PubChem CID 18952727) has the molecular formula C8H10BrN3 and a molecular weight of 228.09 g/mol. Its IUPAC name is 4-bromo-6-diazo-N,N-dimethylcyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name4-bromo-6-diazo-N,N-dimethylcyclohexa-2,4-dien-1-amine
PubChem CID18952727
Molecular FormulaC8H10BrN3
Molecular Weight228.09 g/mol
Exact Mass227.01
IUPAC Name4-bromo-6-diazo-N,N-dimethylcyclohexa-2,4-dien-1-amine
SMILESCN(C)C1C=CC(Br)=CC1=[N+]=[N-]
InChIInChI=1S/C8H10BrN3/c1-12(2)8-4-3-6(9)5-7(8)11-10/h3-5,8H,1-2H3
InChIKeyZVAPKNITDAIICR-UHFFFAOYSA-N
XLogP1.44
TPSA39.64 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.09
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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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Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-diazo-N,N-dimethylcyclohexa-2,4-dien-1-amine?
The IUPAC name of 4-bromo-6-diazo-N,N-dimethylcyclohexa-2,4-dien-1-amine (CID 18952727) is 4-bromo-6-diazo-N,N-dimethylcyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 4-bromo-6-diazo-N,N-dimethylcyclohexa-2,4-dien-1-amine?
The canonical SMILES for 4-bromo-6-diazo-N,N-dimethylcyclohexa-2,4-dien-1-amine is CN(C)C1C=CC(Br)=CC1=[N+]=[N-].
What is the InChIKey of 4-bromo-6-diazo-N,N-dimethylcyclohexa-2,4-dien-1-amine?
The InChIKey is ZVAPKNITDAIICR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrN3/c1-12(2)8-4-3-6(9)5-7(8)11-10/h3-5,8H,1-2H3.
What are the key properties of 4-bromo-6-diazo-N,N-dimethylcyclohexa-2,4-dien-1-amine?
4-bromo-6-diazo-N,N-dimethylcyclohexa-2,4-dien-1-amine has a molecular weight of 228.09 g/mol, XLogP of 1.44, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-diazo-N,N-dimethylcyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 18952727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).