4-diazo-N-(4-diazocyclohexa-1,5-dien-1-yl)cyclohexa-1,5-dien-1-amine

C12H11N5 — CID 19777755

IUPAC4-diazo-N-(4-diazocyclohexa-1,5-dien-1-yl)cyclohexa-1,5-dien-1-amine
SMILES[N-]=[N+]=C1C=CC(NC2=CCC(=[N+]=[N-])C=C2)=CC1
InChIInChI=1S/C12H11N5/c13-16-11-5-1-9(2-6-11)15-10-3-7-12(17-14)8-4-10/h1-5,7,15H,6,8H2
InChIKeyAMRKENFLCFNQMW-UHFFFAOYSA-N
MW225.26 g/mol
LogP1.61
Rot. Bonds2

About 4-diazo-N-(4-diazocyclohexa-1,5-dien-1-yl)cyclohexa-1,5-dien-1-amine

4-diazo-N-(4-diazocyclohexa-1,5-dien-1-yl)cyclohexa-1,5-dien-1-amine (PubChem CID 19777755) has the molecular formula C12H11N5 and a molecular weight of 225.26 g/mol. Its IUPAC name is 4-diazo-N-(4-diazocyclohexa-1,5-dien-1-yl)cyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name4-diazo-N-(4-diazocyclohexa-1,5-dien-1-yl)cyclohexa-1,5-dien-1-amine
PubChem CID19777755
Molecular FormulaC12H11N5
Molecular Weight225.26 g/mol
Exact Mass225.10
IUPAC Name4-diazo-N-(4-diazocyclohexa-1,5-dien-1-yl)cyclohexa-1,5-dien-1-amine
SMILES[N-]=[N+]=C1C=CC(NC2=CCC(=[N+]=[N-])C=C2)=CC1
InChIInChI=1S/C12H11N5/c13-16-11-5-1-9(2-6-11)15-10-3-7-12(17-14)8-4-10/h1-5,7,15H,6,8H2
InChIKeyAMRKENFLCFNQMW-UHFFFAOYSA-N
XLogP1.61
TPSA84.83 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 51.61
H-Bond Donors ≤ 51
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-diazo-N-(4-diazocyclohexa-1,5-dien-1-yl)cyclohexa-1,5-dien-1-amine?
The IUPAC name of 4-diazo-N-(4-diazocyclohexa-1,5-dien-1-yl)cyclohexa-1,5-dien-1-amine (CID 19777755) is 4-diazo-N-(4-diazocyclohexa-1,5-dien-1-yl)cyclohexa-1,5-dien-1-amine.
What is the SMILES notation for 4-diazo-N-(4-diazocyclohexa-1,5-dien-1-yl)cyclohexa-1,5-dien-1-amine?
The canonical SMILES for 4-diazo-N-(4-diazocyclohexa-1,5-dien-1-yl)cyclohexa-1,5-dien-1-amine is [N-]=[N+]=C1C=CC(NC2=CCC(=[N+]=[N-])C=C2)=CC1.
What is the InChIKey of 4-diazo-N-(4-diazocyclohexa-1,5-dien-1-yl)cyclohexa-1,5-dien-1-amine?
The InChIKey is AMRKENFLCFNQMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5/c13-16-11-5-1-9(2-6-11)15-10-3-7-12(17-14)8-4-10/h1-5,7,15H,6,8H2.
What are the key properties of 4-diazo-N-(4-diazocyclohexa-1,5-dien-1-yl)cyclohexa-1,5-dien-1-amine?
4-diazo-N-(4-diazocyclohexa-1,5-dien-1-yl)cyclohexa-1,5-dien-1-amine has a molecular weight of 225.26 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-diazo-N-(4-diazocyclohexa-1,5-dien-1-yl)cyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 19777755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).