4,4-diazidocyclohexa-1,5-dien-1-amine

C6H7N7 — CID 139650543

IUPAC4,4-diazidocyclohexa-1,5-dien-1-amine
SMILES[N-]=[N+]=NC1(N=[N+]=[N-])C=CC(N)=CC1
InChIInChI=1S/C6H7N7/c7-5-1-3-6(4-2-5,10-12-8)11-13-9/h1-3H,4,7H2
InChIKeyNSRZYAZHAQXPLH-UHFFFAOYSA-N
MW177.17 g/mol
LogP2.11
Rot. Bonds2

About 4,4-diazidocyclohexa-1,5-dien-1-amine

4,4-diazidocyclohexa-1,5-dien-1-amine (PubChem CID 139650543) has the molecular formula C6H7N7 and a molecular weight of 177.17 g/mol. Its IUPAC name is 4,4-diazidocyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name4,4-diazidocyclohexa-1,5-dien-1-amine
PubChem CID139650543
Molecular FormulaC6H7N7
Molecular Weight177.17 g/mol
Exact Mass177.08
IUPAC Name4,4-diazidocyclohexa-1,5-dien-1-amine
SMILES[N-]=[N+]=NC1(N=[N+]=[N-])C=CC(N)=CC1
InChIInChI=1S/C6H7N7/c7-5-1-3-6(4-2-5,10-12-8)11-13-9/h1-3H,4,7H2
InChIKeyNSRZYAZHAQXPLH-UHFFFAOYSA-N
XLogP2.11
TPSA123.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.17
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

4-Amino-paraphenylenediamine
CID 67421268
2-Azidocyclohexa-1,3-diene
CID 19353050
2-(Aminodiazenyl)cyclohexa-1,3-diene
CID 118190089
Cyclohexa-3,5-diene-1,1,3-triamine
CID 140555437
Cyclohexa-1,5-dien-1-yldiazene
CID 142081766
Cyclohexa-2,4-diene-1,1,3,4-tetramine
CID 150702922
1-Azidocyclohexa-2,4-dien-1-amine
CID 152624506
Cyclohexa-2,4-diene-1,1,3-triamine
CID 153897296
Cyclohexa-2,4-diene-1,1,3,5-tetramine
CID 170946565

Frequently Asked Questions

What is the IUPAC name of 4,4-diazidocyclohexa-1,5-dien-1-amine?
The IUPAC name of 4,4-diazidocyclohexa-1,5-dien-1-amine (CID 139650543) is 4,4-diazidocyclohexa-1,5-dien-1-amine.
What is the SMILES notation for 4,4-diazidocyclohexa-1,5-dien-1-amine?
The canonical SMILES for 4,4-diazidocyclohexa-1,5-dien-1-amine is [N-]=[N+]=NC1(N=[N+]=[N-])C=CC(N)=CC1.
What is the InChIKey of 4,4-diazidocyclohexa-1,5-dien-1-amine?
The InChIKey is NSRZYAZHAQXPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N7/c7-5-1-3-6(4-2-5,10-12-8)11-13-9/h1-3H,4,7H2.
What are the key properties of 4,4-diazidocyclohexa-1,5-dien-1-amine?
4,4-diazidocyclohexa-1,5-dien-1-amine has a molecular weight of 177.17 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-diazidocyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 139650543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).