4-(1,2,2-tricyanoethenyl)benzenediazonium

C11H4N5+ — CID 14202523

IUPAC4-(1,2,2-tricyanoethenyl)benzenediazonium
SMILESN#CC(C#N)=C(C#N)c1ccc([N+]#N)cc1
InChIInChI=1S/C11H4N5/c12-5-9(6-13)11(7-14)8-1-3-10(16-15)4-2-8/h1-4H/q+1
InChIKeyUIEWIMZYFLTPRK-UHFFFAOYSA-N
MW206.19 g/mol
LogP2.50
Rot. Bonds1

About 4-(1,2,2-tricyanoethenyl)benzenediazonium

4-(1,2,2-tricyanoethenyl)benzenediazonium (PubChem CID 14202523) has the molecular formula C11H4N5+ and a molecular weight of 206.19 g/mol. Its IUPAC name is 4-(1,2,2-tricyanoethenyl)benzenediazonium.

Molecular Properties

Compound Name4-(1,2,2-tricyanoethenyl)benzenediazonium
PubChem CID14202523
Molecular FormulaC11H4N5+
Molecular Weight206.19 g/mol
Exact Mass206.05
IUPAC Name4-(1,2,2-tricyanoethenyl)benzenediazonium
SMILESN#CC(C#N)=C(C#N)c1ccc([N+]#N)cc1
InChIInChI=1S/C11H4N5/c12-5-9(6-13)11(7-14)8-1-3-10(16-15)4-2-8/h1-4H/q+1
InChIKeyUIEWIMZYFLTPRK-UHFFFAOYSA-N
XLogP2.50
TPSA99.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.19
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_cyano_A(19)', 'substructure': 'N/A'}, {'alert_name': 'Azo_group', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Related Compounds

2-Aminobenzonitrile
CID 72913
4-Aminobenzonitrile
CID 13396
3-Aminobenzonitrile
CID 16702
p-Nitrophenylacetonitrile
CID 68386
3,3-Dimethyl-1-(4-methylphenyl)-1-triazene
CID 81618
Benzonitrile, 4-isothiocyanato-
CID 17626
4-Amino-2,5-difluorobenzonitrile
CID 2735900
4-Amino-3-iodobenzonitrile
CID 4416395
4-Aminophenylacetonitrile
CID 77000
1-(4-Cyanophenyl)guanidine
CID 17747914
1-Azido-4-methylbenzene
CID 137430
4-Methylazobenzene
CID 13705

Frequently Asked Questions

What is the IUPAC name of 4-(1,2,2-tricyanoethenyl)benzenediazonium?
The IUPAC name of 4-(1,2,2-tricyanoethenyl)benzenediazonium (CID 14202523) is 4-(1,2,2-tricyanoethenyl)benzenediazonium.
What is the SMILES notation for 4-(1,2,2-tricyanoethenyl)benzenediazonium?
The canonical SMILES for 4-(1,2,2-tricyanoethenyl)benzenediazonium is N#CC(C#N)=C(C#N)c1ccc([N+]#N)cc1.
What is the InChIKey of 4-(1,2,2-tricyanoethenyl)benzenediazonium?
The InChIKey is UIEWIMZYFLTPRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H4N5/c12-5-9(6-13)11(7-14)8-1-3-10(16-15)4-2-8/h1-4H/q+1.
What are the key properties of 4-(1,2,2-tricyanoethenyl)benzenediazonium?
4-(1,2,2-tricyanoethenyl)benzenediazonium has a molecular weight of 206.19 g/mol, XLogP of 2.50, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2,2-tricyanoethenyl)benzenediazonium is sourced from PubChem (CID 14202523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).