Tropylium azide

C7H7N3 — CID 12625269

IUPAC7-azidocyclohepta-1,3,5-triene
SMILESC1=CC=CC(C=C1)N=[N+]=[N-]
InChIInChI=1S/C7H7N3/c8-10-9-7-5-3-1-2-4-6-7/h1-7H
InChIKeyHXCINKBJVNOSMK-UHFFFAOYSA-N
MW133.15 g/mol
LogP3.30
Rot. Bonds1

About Tropylium azide

Tropylium azide (PubChem CID 12625269) has the molecular formula C7H7N3 and a molecular weight of 133.15 g/mol. Its IUPAC name is 7-azidocyclohepta-1,3,5-triene.

Molecular Properties

Compound NameTropylium azide
PubChem CID12625269
Molecular FormulaC7H7N3
Molecular Weight133.15 g/mol
Exact Mass133.06
IUPAC Name7-azidocyclohepta-1,3,5-triene
SMILESC1=CC=CC(C=C1)N=[N+]=[N-]
InChIInChI=1S/C7H7N3/c8-10-9-7-5-3-1-2-4-6-7/h1-7H
InChIKeyHXCINKBJVNOSMK-UHFFFAOYSA-N
XLogP3.30
TPSA14.40 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity215

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of Tropylium azide?
The IUPAC name of Tropylium azide (CID 12625269) is 7-azidocyclohepta-1,3,5-triene.
What is the SMILES notation for Tropylium azide?
The canonical SMILES for Tropylium azide is C1=CC=CC(C=C1)N=[N+]=[N-].
What is the InChIKey of Tropylium azide?
The InChIKey is HXCINKBJVNOSMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3/c8-10-9-7-5-3-1-2-4-6-7/h1-7H.
What are the key properties of Tropylium azide?
Tropylium azide has a molecular weight of 133.15 g/mol, XLogP of 3.30, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for Tropylium azide is sourced from PubChem (CID 12625269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).