4-[2-(dicyanomethylidene)hydrazinyl]benzene-1,2-dicarbonitrile

C11H4N6 — CID 169337793

IUPAC4-[2-(dicyanomethylidene)hydrazinyl]benzene-1,2-dicarbonitrile
SMILESN#CC(C#N)=NNc1ccc(C#N)c(C#N)c1
InChIInChI=1S/C11H4N6/c12-4-8-1-2-10(3-9(8)5-13)16-17-11(6-14)7-15/h1-3,16H
InChIKeyGMOCFTXBERFRBP-UHFFFAOYSA-N
MW220.19 g/mol
LogP1.25
Rot. Bonds2

About 4-[2-(dicyanomethylidene)hydrazinyl]benzene-1,2-dicarbonitrile

4-[2-(dicyanomethylidene)hydrazinyl]benzene-1,2-dicarbonitrile (PubChem CID 169337793) has the molecular formula C11H4N6 and a molecular weight of 220.19 g/mol. Its IUPAC name is 4-[2-(dicyanomethylidene)hydrazinyl]benzene-1,2-dicarbonitrile.

Molecular Properties

Compound Name4-[2-(dicyanomethylidene)hydrazinyl]benzene-1,2-dicarbonitrile
PubChem CID169337793
Molecular FormulaC11H4N6
Molecular Weight220.19 g/mol
Exact Mass220.05
IUPAC Name4-[2-(dicyanomethylidene)hydrazinyl]benzene-1,2-dicarbonitrile
SMILESN#CC(C#N)=NNc1ccc(C#N)c(C#N)c1
InChIInChI=1S/C11H4N6/c12-4-8-1-2-10(3-9(8)5-13)16-17-11(6-14)7-15/h1-3,16H
InChIKeyGMOCFTXBERFRBP-UHFFFAOYSA-N
XLogP1.25
TPSA119.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_imine_B(17)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[4-[2-(dicyanomethylidene)hydrazinyl]phenoxy]benzene-1,2-dicarbonitrile
CID 169337735
2-[(4-fluorophenyl)hydrazinylidene]propanedinitrile
CID 832904
2-[(3-fluoro-4-methylphenyl)hydrazinylidene]propanedinitrile
CID 169337336
2-[(3-chlorophenyl)hydrazinylidene]propanedinitrile
CID 2603
2-[[3-(dimethylamino)-4-methylphenyl]hydrazinylidene]propanedinitrile
CID 169340067
2-[[3-chloro-4-(dimethylamino)phenyl]hydrazinylidene]propanedinitrile
CID 169337979
2-[(4-ethylphenyl)hydrazinylidene]propanedinitrile
CID 169341976
2-[[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]hydrazinylidene]propanedinitrile
CID 169340479
2-[(3-fluoro-4-phenoxyphenyl)hydrazinylidene]propanedinitrile
CID 166903327
2-[(2-oxo-1H-quinolin-7-yl)hydrazinylidene]propanedinitrile
CID 169340145
N-(3,4-dicyanophenyl)acetamide
CID 12938829
2-[(4,5-dichloro-2-cyanophenyl)hydrazinylidene]propanedinitrile
CID 169341494

Frequently Asked Questions

What is the IUPAC name of 4-[2-(dicyanomethylidene)hydrazinyl]benzene-1,2-dicarbonitrile?
The IUPAC name of 4-[2-(dicyanomethylidene)hydrazinyl]benzene-1,2-dicarbonitrile (CID 169337793) is 4-[2-(dicyanomethylidene)hydrazinyl]benzene-1,2-dicarbonitrile.
What is the SMILES notation for 4-[2-(dicyanomethylidene)hydrazinyl]benzene-1,2-dicarbonitrile?
The canonical SMILES for 4-[2-(dicyanomethylidene)hydrazinyl]benzene-1,2-dicarbonitrile is N#CC(C#N)=NNc1ccc(C#N)c(C#N)c1.
What is the InChIKey of 4-[2-(dicyanomethylidene)hydrazinyl]benzene-1,2-dicarbonitrile?
The InChIKey is GMOCFTXBERFRBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H4N6/c12-4-8-1-2-10(3-9(8)5-13)16-17-11(6-14)7-15/h1-3,16H.
What are the key properties of 4-[2-(dicyanomethylidene)hydrazinyl]benzene-1,2-dicarbonitrile?
4-[2-(dicyanomethylidene)hydrazinyl]benzene-1,2-dicarbonitrile has a molecular weight of 220.19 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dicyanomethylidene)hydrazinyl]benzene-1,2-dicarbonitrile is sourced from PubChem (CID 169337793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).