benzene-1,2,4-tricarbonitrile

C9H3N3 — CID 592670

IUPACbenzene-1,2,4-tricarbonitrile
SMILESN#Cc1ccc(C#N)c(C#N)c1
InChIInChI=1S/C9H3N3/c10-4-7-1-2-8(5-11)9(3-7)6-12/h1-3H
InChIKeyRTJRHFSBKHHQEI-UHFFFAOYSA-N
MW153.14 g/mol
LogP1.30
Rot. Bonds

About benzene-1,2,4-tricarbonitrile

benzene-1,2,4-tricarbonitrile (PubChem CID 592670) has the molecular formula C9H3N3 and a molecular weight of 153.14 g/mol. Its IUPAC name is benzene-1,2,4-tricarbonitrile.

Molecular Properties

Compound Namebenzene-1,2,4-tricarbonitrile
PubChem CID592670
Molecular FormulaC9H3N3
Molecular Weight153.14 g/mol
Exact Mass153.03
IUPAC Namebenzene-1,2,4-tricarbonitrile
SMILESN#Cc1ccc(C#N)c(C#N)c1
InChIInChI=1S/C9H3N3/c10-4-7-1-2-8(5-11)9(3-7)6-12/h1-3H
InChIKeyRTJRHFSBKHHQEI-UHFFFAOYSA-N
XLogP1.30
TPSA71.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.14
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzene-1,2,4-tricarbonitrile?
The IUPAC name of benzene-1,2,4-tricarbonitrile (CID 592670) is benzene-1,2,4-tricarbonitrile.
What is the SMILES notation for benzene-1,2,4-tricarbonitrile?
The canonical SMILES for benzene-1,2,4-tricarbonitrile is N#Cc1ccc(C#N)c(C#N)c1.
What is the InChIKey of benzene-1,2,4-tricarbonitrile?
The InChIKey is RTJRHFSBKHHQEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H3N3/c10-4-7-1-2-8(5-11)9(3-7)6-12/h1-3H.
What are the key properties of benzene-1,2,4-tricarbonitrile?
benzene-1,2,4-tricarbonitrile has a molecular weight of 153.14 g/mol, XLogP of 1.30, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,2,4-tricarbonitrile is sourced from PubChem (CID 592670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).