2,4,5-tricyano-3-(iminomethylidene)cyclopenta-1,4-diene-1-diazonium

C9HN6+ — CID 129352913

IUPAC2,4,5-tricyano-3-(iminomethylidene)cyclopenta-1,4-diene-1-diazonium
SMILESN#CC1=C(C#N)C([N+]#N)=C(C#N)C1=C=N
InChIInChI=1S/C9HN6/c10-1-5-6(2-11)8(4-13)9(15-14)7(5)3-12/h10H/q+1
InChIKeySJMSXNJLWBCYAV-UHFFFAOYSA-N
MW193.15 g/mol
LogP1.15
Rot. Bonds

About 2,4,5-tricyano-3-(iminomethylidene)cyclopenta-1,4-diene-1-diazonium

2,4,5-tricyano-3-(iminomethylidene)cyclopenta-1,4-diene-1-diazonium (PubChem CID 129352913) has the molecular formula C9HN6+ and a molecular weight of 193.15 g/mol. Its IUPAC name is 2,4,5-tricyano-3-(iminomethylidene)cyclopenta-1,4-diene-1-diazonium.

Molecular Properties

Compound Name2,4,5-tricyano-3-(iminomethylidene)cyclopenta-1,4-diene-1-diazonium
PubChem CID129352913
Molecular FormulaC9HN6+
Molecular Weight193.15 g/mol
Exact Mass193.03
IUPAC Name2,4,5-tricyano-3-(iminomethylidene)cyclopenta-1,4-diene-1-diazonium
SMILESN#CC1=C(C#N)C([N+]#N)=C(C#N)C1=C=N
InChIInChI=1S/C9HN6/c10-1-5-6(2-11)8(4-13)9(15-14)7(5)3-12/h10H/q+1
InChIKeySJMSXNJLWBCYAV-UHFFFAOYSA-N
XLogP1.15
TPSA123.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.15
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Azo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4,5-tricyano-3-(iminomethylidene)cyclopenta-1,4-diene-1-diazonium?
The IUPAC name of 2,4,5-tricyano-3-(iminomethylidene)cyclopenta-1,4-diene-1-diazonium (CID 129352913) is 2,4,5-tricyano-3-(iminomethylidene)cyclopenta-1,4-diene-1-diazonium.
What is the SMILES notation for 2,4,5-tricyano-3-(iminomethylidene)cyclopenta-1,4-diene-1-diazonium?
The canonical SMILES for 2,4,5-tricyano-3-(iminomethylidene)cyclopenta-1,4-diene-1-diazonium is N#CC1=C(C#N)C([N+]#N)=C(C#N)C1=C=N.
What is the InChIKey of 2,4,5-tricyano-3-(iminomethylidene)cyclopenta-1,4-diene-1-diazonium?
The InChIKey is SJMSXNJLWBCYAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9HN6/c10-1-5-6(2-11)8(4-13)9(15-14)7(5)3-12/h10H/q+1.
What are the key properties of 2,4,5-tricyano-3-(iminomethylidene)cyclopenta-1,4-diene-1-diazonium?
2,4,5-tricyano-3-(iminomethylidene)cyclopenta-1,4-diene-1-diazonium has a molecular weight of 193.15 g/mol, XLogP of 1.15, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-tricyano-3-(iminomethylidene)cyclopenta-1,4-diene-1-diazonium is sourced from PubChem (CID 129352913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).