6,7-diazidoheptanenitrile

C7H11N7 — CID 19811077

IUPAC6,7-diazidoheptanenitrile
SMILESN#CCCCCC(CN=[N+]=[N-])N=[N+]=[N-]
InChIInChI=1S/C7H11N7/c8-5-3-1-2-4-7(12-14-10)6-11-13-9/h7H,1-4,6H2
InChIKeyUBLAUAMPTSEYLY-UHFFFAOYSA-N
MW193.21 g/mol
LogP3.06
Rot. Bonds7

About 6,7-diazidoheptanenitrile

6,7-diazidoheptanenitrile (PubChem CID 19811077) has the molecular formula C7H11N7 and a molecular weight of 193.21 g/mol. Its IUPAC name is 6,7-diazidoheptanenitrile.

Molecular Properties

Compound Name6,7-diazidoheptanenitrile
PubChem CID19811077
Molecular FormulaC7H11N7
Molecular Weight193.21 g/mol
Exact Mass193.11
IUPAC Name6,7-diazidoheptanenitrile
SMILESN#CCCCCC(CN=[N+]=[N-])N=[N+]=[N-]
InChIInChI=1S/C7H11N7/c8-5-3-1-2-4-7(12-14-10)6-11-13-9/h7H,1-4,6H2
InChIKeyUBLAUAMPTSEYLY-UHFFFAOYSA-N
XLogP3.06
TPSA121.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of 6,7-diazidoheptanenitrile?
The IUPAC name of 6,7-diazidoheptanenitrile (CID 19811077) is 6,7-diazidoheptanenitrile.
What is the SMILES notation for 6,7-diazidoheptanenitrile?
The canonical SMILES for 6,7-diazidoheptanenitrile is N#CCCCCC(CN=[N+]=[N-])N=[N+]=[N-].
What is the InChIKey of 6,7-diazidoheptanenitrile?
The InChIKey is UBLAUAMPTSEYLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N7/c8-5-3-1-2-4-7(12-14-10)6-11-13-9/h7H,1-4,6H2.
What are the key properties of 6,7-diazidoheptanenitrile?
6,7-diazidoheptanenitrile has a molecular weight of 193.21 g/mol, XLogP of 3.06, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-diazidoheptanenitrile is sourced from PubChem (CID 19811077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).