3-(4-ethyl-3-methylanilino)pyrazine-2-carbonitrile

C14H14N4 — CID 113346577

IUPAC3-(4-ethyl-3-methylanilino)pyrazine-2-carbonitrile
SMILESCCc1ccc(Nc2nccnc2C#N)cc1C
InChIInChI=1S/C14H14N4/c1-3-11-4-5-12(8-10(11)2)18-14-13(9-15)16-6-7-17-14/h4-8H,3H2,1-2H3,(H,17,18)
InChIKeyGYTNVQOREWQDPR-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.96
Rot. Bonds3

About 3-(4-ethyl-3-methylanilino)pyrazine-2-carbonitrile

3-(4-ethyl-3-methylanilino)pyrazine-2-carbonitrile (PubChem CID 113346577) has the molecular formula C14H14N4 and a molecular weight of 238.29 g/mol. Its IUPAC name is 3-(4-ethyl-3-methylanilino)pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-(4-ethyl-3-methylanilino)pyrazine-2-carbonitrile
PubChem CID113346577
Molecular FormulaC14H14N4
Molecular Weight238.29 g/mol
Exact Mass238.12
IUPAC Name3-(4-ethyl-3-methylanilino)pyrazine-2-carbonitrile
SMILESCCc1ccc(Nc2nccnc2C#N)cc1C
InChIInChI=1S/C14H14N4/c1-3-11-4-5-12(8-10(11)2)18-14-13(9-15)16-6-7-17-14/h4-8H,3H2,1-2H3,(H,17,18)
InChIKeyGYTNVQOREWQDPR-UHFFFAOYSA-N
XLogP2.96
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethyl-3-methylanilino)pyrazine-2-carbonitrile?
The IUPAC name of 3-(4-ethyl-3-methylanilino)pyrazine-2-carbonitrile (CID 113346577) is 3-(4-ethyl-3-methylanilino)pyrazine-2-carbonitrile.
What is the SMILES notation for 3-(4-ethyl-3-methylanilino)pyrazine-2-carbonitrile?
The canonical SMILES for 3-(4-ethyl-3-methylanilino)pyrazine-2-carbonitrile is CCc1ccc(Nc2nccnc2C#N)cc1C.
What is the InChIKey of 3-(4-ethyl-3-methylanilino)pyrazine-2-carbonitrile?
The InChIKey is GYTNVQOREWQDPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4/c1-3-11-4-5-12(8-10(11)2)18-14-13(9-15)16-6-7-17-14/h4-8H,3H2,1-2H3,(H,17,18).
What are the key properties of 3-(4-ethyl-3-methylanilino)pyrazine-2-carbonitrile?
3-(4-ethyl-3-methylanilino)pyrazine-2-carbonitrile has a molecular weight of 238.29 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethyl-3-methylanilino)pyrazine-2-carbonitrile is sourced from PubChem (CID 113346577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).