4-azidopentanenitrile

C5H8N4 — CID 20505518

IUPAC4-azidopentanenitrile
SMILESCC(CCC#N)N=[N+]=[N-]
InChIInChI=1S/C5H8N4/c1-5(8-9-7)3-2-4-6/h5H,2-3H2,1H3
InChIKeyZJBIYSDMVWXBDS-UHFFFAOYSA-N
MW124.15 g/mol
LogP1.99
Rot. Bonds3

About 4-azidopentanenitrile

4-azidopentanenitrile (PubChem CID 20505518) has the molecular formula C5H8N4 and a molecular weight of 124.15 g/mol. Its IUPAC name is 4-azidopentanenitrile.

Molecular Properties

Compound Name4-azidopentanenitrile
PubChem CID20505518
Molecular FormulaC5H8N4
Molecular Weight124.15 g/mol
Exact Mass124.07
IUPAC Name4-azidopentanenitrile
SMILESCC(CCC#N)N=[N+]=[N-]
InChIInChI=1S/C5H8N4/c1-5(8-9-7)3-2-4-6/h5H,2-3H2,1H3
InChIKeyZJBIYSDMVWXBDS-UHFFFAOYSA-N
XLogP1.99
TPSA72.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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': '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 4-azidopentanenitrile?
The IUPAC name of 4-azidopentanenitrile (CID 20505518) is 4-azidopentanenitrile.
What is the SMILES notation for 4-azidopentanenitrile?
The canonical SMILES for 4-azidopentanenitrile is CC(CCC#N)N=[N+]=[N-].
What is the InChIKey of 4-azidopentanenitrile?
The InChIKey is ZJBIYSDMVWXBDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4/c1-5(8-9-7)3-2-4-6/h5H,2-3H2,1H3.
What are the key properties of 4-azidopentanenitrile?
4-azidopentanenitrile has a molecular weight of 124.15 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azidopentanenitrile is sourced from PubChem (CID 20505518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).