6-methylbenzene-1,2,4-tricarbonitrile

C10H5N3 — CID 101082761

IUPAC6-methylbenzene-1,2,4-tricarbonitrile
SMILESCc1cc(C#N)cc(C#N)c1C#N
InChIInChI=1S/C10H5N3/c1-7-2-8(4-11)3-9(5-12)10(7)6-13/h2-3H,1H3
InChIKeyZYAJMUDXOBJXKF-UHFFFAOYSA-N
MW167.17 g/mol
LogP1.61
Rot. Bonds

About 6-methylbenzene-1,2,4-tricarbonitrile

6-methylbenzene-1,2,4-tricarbonitrile (PubChem CID 101082761) has the molecular formula C10H5N3 and a molecular weight of 167.17 g/mol. Its IUPAC name is 6-methylbenzene-1,2,4-tricarbonitrile.

Molecular Properties

Compound Name6-methylbenzene-1,2,4-tricarbonitrile
PubChem CID101082761
Molecular FormulaC10H5N3
Molecular Weight167.17 g/mol
Exact Mass167.05
IUPAC Name6-methylbenzene-1,2,4-tricarbonitrile
SMILESCc1cc(C#N)cc(C#N)c1C#N
InChIInChI=1S/C10H5N3/c1-7-2-8(4-11)3-9(5-12)10(7)6-13/h2-3H,1H3
InChIKeyZYAJMUDXOBJXKF-UHFFFAOYSA-N
XLogP1.61
TPSA71.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methylbenzene-1,2,4-tricarbonitrile?
The IUPAC name of 6-methylbenzene-1,2,4-tricarbonitrile (CID 101082761) is 6-methylbenzene-1,2,4-tricarbonitrile.
What is the SMILES notation for 6-methylbenzene-1,2,4-tricarbonitrile?
The canonical SMILES for 6-methylbenzene-1,2,4-tricarbonitrile is Cc1cc(C#N)cc(C#N)c1C#N.
What is the InChIKey of 6-methylbenzene-1,2,4-tricarbonitrile?
The InChIKey is ZYAJMUDXOBJXKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5N3/c1-7-2-8(4-11)3-9(5-12)10(7)6-13/h2-3H,1H3.
What are the key properties of 6-methylbenzene-1,2,4-tricarbonitrile?
6-methylbenzene-1,2,4-tricarbonitrile has a molecular weight of 167.17 g/mol, XLogP of 1.61, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylbenzene-1,2,4-tricarbonitrile is sourced from PubChem (CID 101082761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).