2,4-dicyano-1-(diazonioamino)benzene

C8H4N5+ — CID 175416365

IUPAC2,4-dicyano-1-(diazonioamino)benzene
SMILESN#Cc1ccc(N[N+]#N)c(C#N)c1
InChIInChI=1S/C8H4N5/c9-4-6-1-2-8(12-13-11)7(3-6)5-10/h1-3,12H/q+1
InChIKeySPKINQRAVJWHCJ-UHFFFAOYSA-N
MW170.15 g/mol
LogP1.61
Rot. Bonds1

About 2,4-dicyano-1-(diazonioamino)benzene

2,4-dicyano-1-(diazonioamino)benzene (PubChem CID 175416365) has the molecular formula C8H4N5+ and a molecular weight of 170.15 g/mol. Its IUPAC name is 2,4-dicyano-1-(diazonioamino)benzene.

Molecular Properties

Compound Name2,4-dicyano-1-(diazonioamino)benzene
PubChem CID175416365
Molecular FormulaC8H4N5+
Molecular Weight170.15 g/mol
Exact Mass170.05
IUPAC Name2,4-dicyano-1-(diazonioamino)benzene
SMILESN#Cc1ccc(N[N+]#N)c(C#N)c1
InChIInChI=1S/C8H4N5/c9-4-6-1-2-8(12-13-11)7(3-6)5-10/h1-3,12H/q+1
InChIKeySPKINQRAVJWHCJ-UHFFFAOYSA-N
XLogP1.61
TPSA87.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.15
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Azo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-methylbenzene-1,3-dicarbonitrile
CID 10080505
3-methyl-4-(methylamino)benzonitrile
CID 23343732
4-[[3-(trifluoromethyl)phenyl]methylamino]benzene-1,3-dicarbonitrile
CID 174921966
(N-(2,4-dicyanoanilino)anilino)phosphonic acid
CID 175006362
4-(2,2-dimethylhydrazinyl)-3-fluorobenzonitrile
CID 83015429
4-(4-hydroxyphenyl)benzene-1,3-dicarbonitrile
CID 15541186
azane;benzene-1,4-dicarbonitrile
CID 174336566
4-[(2,4-dinitronaphthalen-1-yl)amino]benzene-1,3-dicarbonitrile
CID 20567274
3-fluoro-4-(methylamino)benzonitrile
CID 21029569
3-[(2-cyano-4-fluoroanilino)methyl]-4-fluorobenzonitrile
CID 79034004
5-chloro-2-(3-cyanoanilino)benzonitrile
CID 55078376
4-[(4-chloro-2-cyanoanilino)methyl]-3-fluorobenzonitrile
CID 63359487

Frequently Asked Questions

What is the IUPAC name of 2,4-dicyano-1-(diazonioamino)benzene?
The IUPAC name of 2,4-dicyano-1-(diazonioamino)benzene (CID 175416365) is 2,4-dicyano-1-(diazonioamino)benzene.
What is the SMILES notation for 2,4-dicyano-1-(diazonioamino)benzene?
The canonical SMILES for 2,4-dicyano-1-(diazonioamino)benzene is N#Cc1ccc(N[N+]#N)c(C#N)c1.
What is the InChIKey of 2,4-dicyano-1-(diazonioamino)benzene?
The InChIKey is SPKINQRAVJWHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4N5/c9-4-6-1-2-8(12-13-11)7(3-6)5-10/h1-3,12H/q+1.
What are the key properties of 2,4-dicyano-1-(diazonioamino)benzene?
2,4-dicyano-1-(diazonioamino)benzene has a molecular weight of 170.15 g/mol, XLogP of 1.61, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dicyano-1-(diazonioamino)benzene is sourced from PubChem (CID 175416365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).