3-(2,4,6-trimethylanilino)pyrazine-2-carbonitrile

C14H14N4 — CID 62684183

IUPAC3-(2,4,6-trimethylanilino)pyrazine-2-carbonitrile
SMILESCc1cc(C)c(Nc2nccnc2C#N)c(C)c1
InChIInChI=1S/C14H14N4/c1-9-6-10(2)13(11(3)7-9)18-14-12(8-15)16-4-5-17-14/h4-7H,1-3H3,(H,17,18)
InChIKeyMOBOFEVGDCLOES-UHFFFAOYSA-N
MW238.29 g/mol
LogP3.02
Rot. Bonds2

About 3-(2,4,6-trimethylanilino)pyrazine-2-carbonitrile

3-(2,4,6-trimethylanilino)pyrazine-2-carbonitrile (PubChem CID 62684183) has the molecular formula C14H14N4 and a molecular weight of 238.29 g/mol. Its IUPAC name is 3-(2,4,6-trimethylanilino)pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-(2,4,6-trimethylanilino)pyrazine-2-carbonitrile
PubChem CID62684183
Molecular FormulaC14H14N4
Molecular Weight238.29 g/mol
Exact Mass238.12
IUPAC Name3-(2,4,6-trimethylanilino)pyrazine-2-carbonitrile
SMILESCc1cc(C)c(Nc2nccnc2C#N)c(C)c1
InChIInChI=1S/C14H14N4/c1-9-6-10(2)13(11(3)7-9)18-14-12(8-15)16-4-5-17-14/h4-7H,1-3H3,(H,17,18)
InChIKeyMOBOFEVGDCLOES-UHFFFAOYSA-N
XLogP3.02
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4,6-trimethylanilino)pyrazine-2-carbonitrile?
The IUPAC name of 3-(2,4,6-trimethylanilino)pyrazine-2-carbonitrile (CID 62684183) is 3-(2,4,6-trimethylanilino)pyrazine-2-carbonitrile.
What is the SMILES notation for 3-(2,4,6-trimethylanilino)pyrazine-2-carbonitrile?
The canonical SMILES for 3-(2,4,6-trimethylanilino)pyrazine-2-carbonitrile is Cc1cc(C)c(Nc2nccnc2C#N)c(C)c1.
What is the InChIKey of 3-(2,4,6-trimethylanilino)pyrazine-2-carbonitrile?
The InChIKey is MOBOFEVGDCLOES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4/c1-9-6-10(2)13(11(3)7-9)18-14-12(8-15)16-4-5-17-14/h4-7H,1-3H3,(H,17,18).
What are the key properties of 3-(2,4,6-trimethylanilino)pyrazine-2-carbonitrile?
3-(2,4,6-trimethylanilino)pyrazine-2-carbonitrile has a molecular weight of 238.29 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4,6-trimethylanilino)pyrazine-2-carbonitrile is sourced from PubChem (CID 62684183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).