4,5-diazidopentanenitrile

C5H7N7 — CID 90929249

IUPAC4,5-diazidopentanenitrile
SMILESN#CCCC(CN=[N+]=[N-])N=[N+]=[N-]
InChIInChI=1S/C5H7N7/c6-3-1-2-5(10-12-8)4-9-11-7/h5H,1-2,4H2
InChIKeyUNPKOPYQUBAERF-UHFFFAOYSA-N
MW165.16 g/mol
LogP2.28
Rot. Bonds5

About 4,5-diazidopentanenitrile

4,5-diazidopentanenitrile (PubChem CID 90929249) has the molecular formula C5H7N7 and a molecular weight of 165.16 g/mol. Its IUPAC name is 4,5-diazidopentanenitrile.

Molecular Properties

Compound Name4,5-diazidopentanenitrile
PubChem CID90929249
Molecular FormulaC5H7N7
Molecular Weight165.16 g/mol
Exact Mass165.08
IUPAC Name4,5-diazidopentanenitrile
SMILESN#CCCC(CN=[N+]=[N-])N=[N+]=[N-]
InChIInChI=1S/C5H7N7/c6-3-1-2-5(10-12-8)4-9-11-7/h5H,1-2,4H2
InChIKeyUNPKOPYQUBAERF-UHFFFAOYSA-N
XLogP2.28
TPSA121.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.16
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 4,5-diazidopentanenitrile?
The IUPAC name of 4,5-diazidopentanenitrile (CID 90929249) is 4,5-diazidopentanenitrile.
What is the SMILES notation for 4,5-diazidopentanenitrile?
The canonical SMILES for 4,5-diazidopentanenitrile is N#CCCC(CN=[N+]=[N-])N=[N+]=[N-].
What is the InChIKey of 4,5-diazidopentanenitrile?
The InChIKey is UNPKOPYQUBAERF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N7/c6-3-1-2-5(10-12-8)4-9-11-7/h5H,1-2,4H2.
What are the key properties of 4,5-diazidopentanenitrile?
4,5-diazidopentanenitrile has a molecular weight of 165.16 g/mol, XLogP of 2.28, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diazidopentanenitrile is sourced from PubChem (CID 90929249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).