5-azidopentanenitrile

C5H8N4 — CID 3289645

IUPAC5-azidopentanenitrile
SMILESN#CCCCCN=[N+]=[N-]
InChIInChI=1S/C5H8N4/c6-4-2-1-3-5-8-9-7/h1-3,5H2
InChIKeyZRTVOGYLNRPLLN-UHFFFAOYSA-N
MW124.15 g/mol
LogP1.99
Rot. Bonds4

About 5-azidopentanenitrile

5-azidopentanenitrile (PubChem CID 3289645) has the molecular formula C5H8N4 and a molecular weight of 124.15 g/mol. Its IUPAC name is 5-azidopentanenitrile.

Molecular Properties

Compound Name5-azidopentanenitrile
PubChem CID3289645
Molecular FormulaC5H8N4
Molecular Weight124.15 g/mol
Exact Mass124.07
IUPAC Name5-azidopentanenitrile
SMILESN#CCCCCN=[N+]=[N-]
InChIInChI=1S/C5H8N4/c6-4-2-1-3-5-8-9-7/h1-3,5H2
InChIKeyZRTVOGYLNRPLLN-UHFFFAOYSA-N
XLogP1.99
TPSA72.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.15
LogP ≤ 51.99
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'}

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Related Compounds

4-Azidobutanenitrile
CID 3975474
7-Azidoheptanenitrile
CID 4543668
Azobisbutyronitrile
CID 14151322
5,5'-(1,2-Diazenediyl)bis[pentanenitrile]
CID 21271056
5-Azido-4-fluoropentanenitrile
CID 118627325
6-Azidohexanenitrile
CID 4005816
4-Azidopentanonitrile
CID 20505518
6-(5-Cyanopentyldiazenyl)hexanenitrile
CID 54180537
7-(6-Cyanohexyldiazenyl)heptanenitrile
CID 54478345
2-Azidopentanenitrile
CID 85658966
4,5-Diazidopentanenitrile
CID 90929249
8-Azidooctanenitrile
CID 122498616

Frequently Asked Questions

What is the IUPAC name of 5-azidopentanenitrile?
The IUPAC name of 5-azidopentanenitrile (CID 3289645) is 5-azidopentanenitrile.
What is the SMILES notation for 5-azidopentanenitrile?
The canonical SMILES for 5-azidopentanenitrile is N#CCCCCN=[N+]=[N-].
What is the InChIKey of 5-azidopentanenitrile?
The InChIKey is ZRTVOGYLNRPLLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4/c6-4-2-1-3-5-8-9-7/h1-3,5H2.
What are the key properties of 5-azidopentanenitrile?
5-azidopentanenitrile has a molecular weight of 124.15 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-azidopentanenitrile is sourced from PubChem (CID 3289645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).