6-(2-methylphenyl)benzene-1,2,4-tricarbonitrile

C16H9N3 — CID 126492572

IUPAC6-(2-methylphenyl)benzene-1,2,4-tricarbonitrile
SMILESCc1ccccc1-c1cc(C#N)cc(C#N)c1C#N
InChIInChI=1S/C16H9N3/c1-11-4-2-3-5-14(11)15-7-12(8-17)6-13(9-18)16(15)10-19/h2-7H,1H3
InChIKeyIOSHPZCREQDKOX-UHFFFAOYSA-N
MW243.27 g/mol
LogP3.28
Rot. Bonds1

About 6-(2-methylphenyl)benzene-1,2,4-tricarbonitrile

6-(2-methylphenyl)benzene-1,2,4-tricarbonitrile (PubChem CID 126492572) has the molecular formula C16H9N3 and a molecular weight of 243.27 g/mol. Its IUPAC name is 6-(2-methylphenyl)benzene-1,2,4-tricarbonitrile.

Molecular Properties

Compound Name6-(2-methylphenyl)benzene-1,2,4-tricarbonitrile
PubChem CID126492572
Molecular FormulaC16H9N3
Molecular Weight243.27 g/mol
Exact Mass243.08
IUPAC Name6-(2-methylphenyl)benzene-1,2,4-tricarbonitrile
SMILESCc1ccccc1-c1cc(C#N)cc(C#N)c1C#N
InChIInChI=1S/C16H9N3/c1-11-4-2-3-5-14(11)15-7-12(8-17)6-13(9-18)16(15)10-19/h2-7H,1H3
InChIKeyIOSHPZCREQDKOX-UHFFFAOYSA-N
XLogP3.28
TPSA71.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-methylbenzene-1,2,4-tricarbonitrile
CID 101082761
4-chloro-3-(2-methylphenyl)benzonitrile
CID 172914911
5-methyl-4-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-2-yl]benzene-1,3-dicarbonitrile
CID 170397945
4-amino-2-(2-methylphenyl)benzonitrile
CID 70133478
2-amino-6-(2-methylphenyl)benzonitrile
CID 175804845
1,6-dimethyl-4-(2-methylphenyl)-2-oxopyridine-3-carbonitrile
CID 82084066
2-methylbenzonitrile
CID 162098401
4-amino-2-fluoro-5-(2-methylphenyl)benzonitrile
CID 168654710
methyl 4-cyano-2-(2-methylphenyl)benzoate
CID 11615778
4-methylbenzene-1,3-dicarbonitrile
CID 10080505
methanol;4-(2-methylphenyl)-6-oxo-1H-pyridine-3-carbonitrile
CID 162028878
azane;2-methylbenzonitrile
CID 158673628

Frequently Asked Questions

What is the IUPAC name of 6-(2-methylphenyl)benzene-1,2,4-tricarbonitrile?
The IUPAC name of 6-(2-methylphenyl)benzene-1,2,4-tricarbonitrile (CID 126492572) is 6-(2-methylphenyl)benzene-1,2,4-tricarbonitrile.
What is the SMILES notation for 6-(2-methylphenyl)benzene-1,2,4-tricarbonitrile?
The canonical SMILES for 6-(2-methylphenyl)benzene-1,2,4-tricarbonitrile is Cc1ccccc1-c1cc(C#N)cc(C#N)c1C#N.
What is the InChIKey of 6-(2-methylphenyl)benzene-1,2,4-tricarbonitrile?
The InChIKey is IOSHPZCREQDKOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9N3/c1-11-4-2-3-5-14(11)15-7-12(8-17)6-13(9-18)16(15)10-19/h2-7H,1H3.
What are the key properties of 6-(2-methylphenyl)benzene-1,2,4-tricarbonitrile?
6-(2-methylphenyl)benzene-1,2,4-tricarbonitrile has a molecular weight of 243.27 g/mol, XLogP of 3.28, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylphenyl)benzene-1,2,4-tricarbonitrile is sourced from PubChem (CID 126492572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).