benzene-1,2,4,5-tetracarbonitrile

C10H2N4 — CID 12838

IUPACbenzene-1,2,4,5-tetracarbonitrile
SMILESN#Cc1cc(C#N)c(C#N)cc1C#N
InChIInChI=1S/C10H2N4/c11-3-7-1-8(4-12)10(6-14)2-9(7)5-13/h1-2H
InChIKeyFAAXSAZENACQBT-UHFFFAOYSA-N
MW178.15 g/mol
LogP1.17
Rot. Bonds

About benzene-1,2,4,5-tetracarbonitrile

benzene-1,2,4,5-tetracarbonitrile (PubChem CID 12838) has the molecular formula C10H2N4 and a molecular weight of 178.15 g/mol. Its IUPAC name is benzene-1,2,4,5-tetracarbonitrile.

Molecular Properties

Compound Namebenzene-1,2,4,5-tetracarbonitrile
PubChem CID12838
Molecular FormulaC10H2N4
Molecular Weight178.15 g/mol
Exact Mass178.03
IUPAC Namebenzene-1,2,4,5-tetracarbonitrile
SMILESN#Cc1cc(C#N)c(C#N)cc1C#N
InChIInChI=1S/C10H2N4/c11-3-7-1-8(4-12)10(6-14)2-9(7)5-13/h1-2H
InChIKeyFAAXSAZENACQBT-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

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Frequently Asked Questions

What is the IUPAC name of benzene-1,2,4,5-tetracarbonitrile?
The IUPAC name of benzene-1,2,4,5-tetracarbonitrile (CID 12838) is benzene-1,2,4,5-tetracarbonitrile.
What is the SMILES notation for benzene-1,2,4,5-tetracarbonitrile?
The canonical SMILES for benzene-1,2,4,5-tetracarbonitrile is N#Cc1cc(C#N)c(C#N)cc1C#N.
What is the InChIKey of benzene-1,2,4,5-tetracarbonitrile?
The InChIKey is FAAXSAZENACQBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H2N4/c11-3-7-1-8(4-12)10(6-14)2-9(7)5-13/h1-2H.
What are the key properties of benzene-1,2,4,5-tetracarbonitrile?
benzene-1,2,4,5-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-1,2,4,5-tetracarbonitrile is sourced from PubChem (CID 12838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).