4-[2-(2,5-dicyanophenyl)hydrazinyl]-2,6-dimethylbenzene-1,3-dicarbonitrile

C18H12N6 — CID 56985103

IUPAC4-[2-(2,5-dicyanophenyl)hydrazinyl]-2,6-dimethylbenzene-1,3-dicarbonitrile
SMILESCc1cc(NNc2cc(C#N)ccc2C#N)c(C#N)c(C)c1C#N
InChIInChI=1S/C18H12N6/c1-11-5-18(16(10-22)12(2)15(11)9-21)24-23-17-6-13(7-19)3-4-14(17)8-20/h3-6,23-24H,1-2H3
InChIKeyXWUQLYOVEVLNMB-UHFFFAOYSA-N
MW312.34 g/mol
LogP3.23
Rot. Bonds3

About 4-[2-(2,5-dicyanophenyl)hydrazinyl]-2,6-dimethylbenzene-1,3-dicarbonitrile

4-[2-(2,5-dicyanophenyl)hydrazinyl]-2,6-dimethylbenzene-1,3-dicarbonitrile (PubChem CID 56985103) has the molecular formula C18H12N6 and a molecular weight of 312.34 g/mol. Its IUPAC name is 4-[2-(2,5-dicyanophenyl)hydrazinyl]-2,6-dimethylbenzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name4-[2-(2,5-dicyanophenyl)hydrazinyl]-2,6-dimethylbenzene-1,3-dicarbonitrile
PubChem CID56985103
Molecular FormulaC18H12N6
Molecular Weight312.34 g/mol
Exact Mass312.11
IUPAC Name4-[2-(2,5-dicyanophenyl)hydrazinyl]-2,6-dimethylbenzene-1,3-dicarbonitrile
SMILESCc1cc(NNc2cc(C#N)ccc2C#N)c(C#N)c(C)c1C#N
InChIInChI=1S/C18H12N6/c1-11-5-18(16(10-22)12(2)15(11)9-21)24-23-17-6-13(7-19)3-4-14(17)8-20/h3-6,23-24H,1-2H3
InChIKeyXWUQLYOVEVLNMB-UHFFFAOYSA-N
XLogP3.23
TPSA119.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-[2-(2,5-dicyanophenyl)hydrazinyl]-2,6-dimethylbenzene-1,3-dicarbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,5-dicyanophenyl)hydrazinyl]-2,6-dimethylbenzene-1,3-dicarbonitrile?
The IUPAC name of 4-[2-(2,5-dicyanophenyl)hydrazinyl]-2,6-dimethylbenzene-1,3-dicarbonitrile (CID 56985103) is 4-[2-(2,5-dicyanophenyl)hydrazinyl]-2,6-dimethylbenzene-1,3-dicarbonitrile.
What is the SMILES notation for 4-[2-(2,5-dicyanophenyl)hydrazinyl]-2,6-dimethylbenzene-1,3-dicarbonitrile?
The canonical SMILES for 4-[2-(2,5-dicyanophenyl)hydrazinyl]-2,6-dimethylbenzene-1,3-dicarbonitrile is Cc1cc(NNc2cc(C#N)ccc2C#N)c(C#N)c(C)c1C#N.
What is the InChIKey of 4-[2-(2,5-dicyanophenyl)hydrazinyl]-2,6-dimethylbenzene-1,3-dicarbonitrile?
The InChIKey is XWUQLYOVEVLNMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N6/c1-11-5-18(16(10-22)12(2)15(11)9-21)24-23-17-6-13(7-19)3-4-14(17)8-20/h3-6,23-24H,1-2H3.
What are the key properties of 4-[2-(2,5-dicyanophenyl)hydrazinyl]-2,6-dimethylbenzene-1,3-dicarbonitrile?
4-[2-(2,5-dicyanophenyl)hydrazinyl]-2,6-dimethylbenzene-1,3-dicarbonitrile has a molecular weight of 312.34 g/mol, XLogP of 3.23, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,5-dicyanophenyl)hydrazinyl]-2,6-dimethylbenzene-1,3-dicarbonitrile is sourced from PubChem (CID 56985103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).