6-azidohexanenitrile

C6H10N4 — CID 4005816

IUPAC6-azidohexanenitrile
SMILESN#CCCCCCN=[N+]=[N-]
InChIInChI=1S/C6H10N4/c7-5-3-1-2-4-6-9-10-8/h1-4,6H2
InChIKeyAFGKHICBKWOCJG-UHFFFAOYSA-N
MW138.17 g/mol
LogP2.38
Rot. Bonds5

About 6-azidohexanenitrile

6-azidohexanenitrile (PubChem CID 4005816) has the molecular formula C6H10N4 and a molecular weight of 138.17 g/mol. Its IUPAC name is 6-azidohexanenitrile.

Molecular Properties

Compound Name6-azidohexanenitrile
PubChem CID4005816
Molecular FormulaC6H10N4
Molecular Weight138.17 g/mol
Exact Mass138.09
IUPAC Name6-azidohexanenitrile
SMILESN#CCCCCCN=[N+]=[N-]
InChIInChI=1S/C6H10N4/c7-5-3-1-2-4-6-9-10-8/h1-4,6H2
InChIKeyAFGKHICBKWOCJG-UHFFFAOYSA-N
XLogP2.38
TPSA72.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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'}

Analyze 6-azidohexanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-azidohexanenitrile?
The IUPAC name of 6-azidohexanenitrile (CID 4005816) is 6-azidohexanenitrile.
What is the SMILES notation for 6-azidohexanenitrile?
The canonical SMILES for 6-azidohexanenitrile is N#CCCCCCN=[N+]=[N-].
What is the InChIKey of 6-azidohexanenitrile?
The InChIKey is AFGKHICBKWOCJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4/c7-5-3-1-2-4-6-9-10-8/h1-4,6H2.
What are the key properties of 6-azidohexanenitrile?
6-azidohexanenitrile has a molecular weight of 138.17 g/mol, XLogP of 2.38, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-azidohexanenitrile is sourced from PubChem (CID 4005816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).