sodium;benzonitrile;azide

C7H5N4Na — CID 158967715

IUPACsodium;benzonitrile;azide
SMILESN#Cc1ccccc1.[N-]=[N+]=[N-].[Na+]
InChIInChI=1S/C7H5N.N3.Na/c8-6-7-4-2-1-3-5-7;1-3-2;/h1-5H;;/q;-1;+1
InChIKeyJNKLNXWXUZYDLV-UHFFFAOYSA-N
MW168.13 g/mol
LogP-0.57
Rot. Bonds

About sodium;benzonitrile;azide

sodium;benzonitrile;azide (PubChem CID 158967715) has the molecular formula C7H5N4Na and a molecular weight of 168.13 g/mol. Its IUPAC name is sodium;benzonitrile;azide.

Molecular Properties

Compound Namesodium;benzonitrile;azide
PubChem CID158967715
Molecular FormulaC7H5N4Na
Molecular Weight168.13 g/mol
Exact Mass168.04
IUPAC Namesodium;benzonitrile;azide
SMILESN#Cc1ccccc1.[N-]=[N+]=[N-].[Na+]
InChIInChI=1S/C7H5N.N3.Na/c8-6-7-4-2-1-3-5-7;1-3-2;/h1-5H;;/q;-1;+1
InChIKeyJNKLNXWXUZYDLV-UHFFFAOYSA-N
XLogP-0.57
TPSA82.49 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.13
LogP ≤ 5-0.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 sodium;benzonitrile;azide?
The IUPAC name of sodium;benzonitrile;azide (CID 158967715) is sodium;benzonitrile;azide.
What is the SMILES notation for sodium;benzonitrile;azide?
The canonical SMILES for sodium;benzonitrile;azide is N#Cc1ccccc1.[N-]=[N+]=[N-].[Na+].
What is the InChIKey of sodium;benzonitrile;azide?
The InChIKey is JNKLNXWXUZYDLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N.N3.Na/c8-6-7-4-2-1-3-5-7;1-3-2;/h1-5H;;/q;-1;+1.
What are the key properties of sodium;benzonitrile;azide?
sodium;benzonitrile;azide has a molecular weight of 168.13 g/mol, XLogP of -0.57, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;benzonitrile;azide is sourced from PubChem (CID 158967715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).