4-amino-5-anilinobenzene-1,2-dicarbonitrile

C14H10N4 — CID 2169094

IUPAC4-amino-5-anilinobenzene-1,2-dicarbonitrile
SMILESN#Cc1cc(N)c(Nc2ccccc2)cc1C#N
InChIInChI=1S/C14H10N4/c15-8-10-6-13(17)14(7-11(10)9-16)18-12-4-2-1-3-5-12/h1-7,18H,17H2
InChIKeyYHBUVSOBPAXFTE-UHFFFAOYSA-N
MW234.26 g/mol
LogP2.76
Rot. Bonds2

About 4-amino-5-anilinobenzene-1,2-dicarbonitrile

4-amino-5-anilinobenzene-1,2-dicarbonitrile (PubChem CID 2169094) has the molecular formula C14H10N4 and a molecular weight of 234.26 g/mol. Its IUPAC name is 4-amino-5-anilinobenzene-1,2-dicarbonitrile.

Molecular Properties

Compound Name4-amino-5-anilinobenzene-1,2-dicarbonitrile
PubChem CID2169094
Molecular FormulaC14H10N4
Molecular Weight234.26 g/mol
Exact Mass234.09
IUPAC Name4-amino-5-anilinobenzene-1,2-dicarbonitrile
SMILESN#Cc1cc(N)c(Nc2ccccc2)cc1C#N
InChIInChI=1S/C14H10N4/c15-8-10-6-13(17)14(7-11(10)9-16)18-12-4-2-1-3-5-12/h1-7,18H,17H2
InChIKeyYHBUVSOBPAXFTE-UHFFFAOYSA-N
XLogP2.76
TPSA85.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-amino-5-anilinobenzene-1,2-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-amino-5-anilinobenzene-1,2-dicarbonitrile?
The IUPAC name of 4-amino-5-anilinobenzene-1,2-dicarbonitrile (CID 2169094) is 4-amino-5-anilinobenzene-1,2-dicarbonitrile.
What is the SMILES notation for 4-amino-5-anilinobenzene-1,2-dicarbonitrile?
The canonical SMILES for 4-amino-5-anilinobenzene-1,2-dicarbonitrile is N#Cc1cc(N)c(Nc2ccccc2)cc1C#N.
What is the InChIKey of 4-amino-5-anilinobenzene-1,2-dicarbonitrile?
The InChIKey is YHBUVSOBPAXFTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4/c15-8-10-6-13(17)14(7-11(10)9-16)18-12-4-2-1-3-5-12/h1-7,18H,17H2.
What are the key properties of 4-amino-5-anilinobenzene-1,2-dicarbonitrile?
4-amino-5-anilinobenzene-1,2-dicarbonitrile has a molecular weight of 234.26 g/mol, XLogP of 2.76, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-anilinobenzene-1,2-dicarbonitrile is sourced from PubChem (CID 2169094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).