1-azidocyclohexa-2,4-dien-1-amine

C6H8N4 — CID 152624506

IUPAC1-azidocyclohexa-2,4-dien-1-amine
SMILES[N-]=[N+]=NC1(N)C=CC=CC1
InChIInChI=1S/C6H8N4/c7-6(9-10-8)4-2-1-3-5-6/h1-4H,5,7H2
InChIKeyZCFMPCHZWHWQTE-UHFFFAOYSA-N
MW136.16 g/mol
LogP1.47
Rot. Bonds1

About 1-azidocyclohexa-2,4-dien-1-amine

1-azidocyclohexa-2,4-dien-1-amine (PubChem CID 152624506) has the molecular formula C6H8N4 and a molecular weight of 136.16 g/mol. Its IUPAC name is 1-azidocyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name1-azidocyclohexa-2,4-dien-1-amine
PubChem CID152624506
Molecular FormulaC6H8N4
Molecular Weight136.16 g/mol
Exact Mass136.07
IUPAC Name1-azidocyclohexa-2,4-dien-1-amine
SMILES[N-]=[N+]=NC1(N)C=CC=CC1
InChIInChI=1S/C6H8N4/c7-6(9-10-8)4-2-1-3-5-6/h1-4H,5,7H2
InChIKeyZCFMPCHZWHWQTE-UHFFFAOYSA-N
XLogP1.47
TPSA74.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.16
LogP ≤ 51.47
H-Bond Donors ≤ 51
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 1-azidocyclohexa-2,4-dien-1-amine?
The IUPAC name of 1-azidocyclohexa-2,4-dien-1-amine (CID 152624506) is 1-azidocyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 1-azidocyclohexa-2,4-dien-1-amine?
The canonical SMILES for 1-azidocyclohexa-2,4-dien-1-amine is [N-]=[N+]=NC1(N)C=CC=CC1.
What is the InChIKey of 1-azidocyclohexa-2,4-dien-1-amine?
The InChIKey is ZCFMPCHZWHWQTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4/c7-6(9-10-8)4-2-1-3-5-6/h1-4H,5,7H2.
What are the key properties of 1-azidocyclohexa-2,4-dien-1-amine?
1-azidocyclohexa-2,4-dien-1-amine has a molecular weight of 136.16 g/mol, XLogP of 1.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azidocyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 152624506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).