benzene-1,2,3,4-tetracarbonitrile

C10H2N4 — CID 14149928

IUPACbenzene-1,2,3,4-tetracarbonitrile
SMILESN#Cc1ccc(C#N)c(C#N)c1C#N
InChIInChI=1S/C10H2N4/c11-3-7-1-2-8(4-12)10(6-14)9(7)5-13/h1-2H
InChIKeyZXEVECAZLJIXPS-UHFFFAOYSA-N
MW178.15 g/mol
LogP1.17
Rot. Bonds

About benzene-1,2,3,4-tetracarbonitrile

benzene-1,2,3,4-tetracarbonitrile (PubChem CID 14149928) has the molecular formula C10H2N4 and a molecular weight of 178.15 g/mol. Its IUPAC name is benzene-1,2,3,4-tetracarbonitrile.

Molecular Properties

Compound Namebenzene-1,2,3,4-tetracarbonitrile
PubChem CID14149928
Molecular FormulaC10H2N4
Molecular Weight178.15 g/mol
Exact Mass178.03
IUPAC Namebenzene-1,2,3,4-tetracarbonitrile
SMILESN#Cc1ccc(C#N)c(C#N)c1C#N
InChIInChI=1S/C10H2N4/c11-3-7-1-2-8(4-12)10(6-14)9(7)5-13/h1-2H
InChIKeyZXEVECAZLJIXPS-UHFFFAOYSA-N
XLogP1.17
TPSA95.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.15
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze benzene-1,2,3,4-tetracarbonitrile 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 benzene-1,2,3,4-tetracarbonitrile?
The IUPAC name of benzene-1,2,3,4-tetracarbonitrile (CID 14149928) is benzene-1,2,3,4-tetracarbonitrile.
What is the SMILES notation for benzene-1,2,3,4-tetracarbonitrile?
The canonical SMILES for benzene-1,2,3,4-tetracarbonitrile is N#Cc1ccc(C#N)c(C#N)c1C#N.
What is the InChIKey of benzene-1,2,3,4-tetracarbonitrile?
The InChIKey is ZXEVECAZLJIXPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H2N4/c11-3-7-1-2-8(4-12)10(6-14)9(7)5-13/h1-2H.
What are the key properties of benzene-1,2,3,4-tetracarbonitrile?
benzene-1,2,3,4-tetracarbonitrile has a molecular weight of 178.15 g/mol, XLogP of 1.17, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,2,3,4-tetracarbonitrile is sourced from PubChem (CID 14149928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).