4-diazo-N,N-dimethylcyclohexa-2,5-dien-1-amine azide

C8H11N6- — CID 88728570

IUPAC4-diazo-N,N-dimethylcyclohexa-2,5-dien-1-amine azide
SMILESCN(C)C1C=CC(=[N+]=[N-])C=C1.[N-]=[N+]=[N-]
InChIInChI=1S/C8H11N3.N3/c1-11(2)8-5-3-7(10-9)4-6-8;1-3-2/h3-6,8H,1-2H3;/q;-1
InChIKeyGAWNHSHQOOSNEN-UHFFFAOYSA-N
MW191.22 g/mol
LogP1.58
Rot. Bonds1

About 4-diazo-N,N-dimethylcyclohexa-2,5-dien-1-amine azide

4-diazo-N,N-dimethylcyclohexa-2,5-dien-1-amine azide (PubChem CID 88728570) has the molecular formula C8H11N6- and a molecular weight of 191.22 g/mol. Its IUPAC name is 4-diazo-N,N-dimethylcyclohexa-2,5-dien-1-amine azide.

Molecular Properties

Compound Name4-diazo-N,N-dimethylcyclohexa-2,5-dien-1-amine azide
PubChem CID88728570
Molecular FormulaC8H11N6-
Molecular Weight191.22 g/mol
Exact Mass191.11
IUPAC Name4-diazo-N,N-dimethylcyclohexa-2,5-dien-1-amine azide
SMILESCN(C)C1C=CC(=[N+]=[N-])C=C1.[N-]=[N+]=[N-]
InChIInChI=1S/C8H11N3.N3/c1-11(2)8-5-3-7(10-9)4-6-8;1-3-2/h3-6,8H,1-2H3;/q;-1
InChIKeyGAWNHSHQOOSNEN-UHFFFAOYSA-N
XLogP1.58
TPSA98.34 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.22
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', '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-diazo-N,N-dimethylcyclohexa-2,5-dien-1-amine azide?
The IUPAC name of 4-diazo-N,N-dimethylcyclohexa-2,5-dien-1-amine azide (CID 88728570) is 4-diazo-N,N-dimethylcyclohexa-2,5-dien-1-amine azide.
What is the SMILES notation for 4-diazo-N,N-dimethylcyclohexa-2,5-dien-1-amine azide?
The canonical SMILES for 4-diazo-N,N-dimethylcyclohexa-2,5-dien-1-amine azide is CN(C)C1C=CC(=[N+]=[N-])C=C1.[N-]=[N+]=[N-].
What is the InChIKey of 4-diazo-N,N-dimethylcyclohexa-2,5-dien-1-amine azide?
The InChIKey is GAWNHSHQOOSNEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3.N3/c1-11(2)8-5-3-7(10-9)4-6-8;1-3-2/h3-6,8H,1-2H3;/q;-1.
What are the key properties of 4-diazo-N,N-dimethylcyclohexa-2,5-dien-1-amine azide?
4-diazo-N,N-dimethylcyclohexa-2,5-dien-1-amine azide has a molecular weight of 191.22 g/mol, XLogP of 1.58, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-diazo-N,N-dimethylcyclohexa-2,5-dien-1-amine azide is sourced from PubChem (CID 88728570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).