5-[methyl(2-phenylethyl)amino]pyrazine-2-carbonitrile

C14H14N4 — CID 65487650

IUPAC5-[methyl(2-phenylethyl)amino]pyrazine-2-carbonitrile
SMILESCN(CCc1ccccc1)c1cnc(C#N)cn1
InChIInChI=1S/C14H14N4/c1-18(8-7-12-5-3-2-4-6-12)14-11-16-13(9-15)10-17-14/h2-6,10-11H,7-8H2,1H3
InChIKeyUYRJRKNQFIMDKR-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.03
Rot. Bonds4

About 5-[methyl(2-phenylethyl)amino]pyrazine-2-carbonitrile

5-[methyl(2-phenylethyl)amino]pyrazine-2-carbonitrile (PubChem CID 65487650) has the molecular formula C14H14N4 and a molecular weight of 238.29 g/mol. Its IUPAC name is 5-[methyl(2-phenylethyl)amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[methyl(2-phenylethyl)amino]pyrazine-2-carbonitrile
PubChem CID65487650
Molecular FormulaC14H14N4
Molecular Weight238.29 g/mol
Exact Mass238.12
IUPAC Name5-[methyl(2-phenylethyl)amino]pyrazine-2-carbonitrile
SMILESCN(CCc1ccccc1)c1cnc(C#N)cn1
InChIInChI=1S/C14H14N4/c1-18(8-7-12-5-3-2-4-6-12)14-11-16-13(9-15)10-17-14/h2-6,10-11H,7-8H2,1H3
InChIKeyUYRJRKNQFIMDKR-UHFFFAOYSA-N
XLogP2.03
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[methyl(2-phenylethyl)amino]pyrazine-2-carbonitrile?
The IUPAC name of 5-[methyl(2-phenylethyl)amino]pyrazine-2-carbonitrile (CID 65487650) is 5-[methyl(2-phenylethyl)amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[methyl(2-phenylethyl)amino]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[methyl(2-phenylethyl)amino]pyrazine-2-carbonitrile is CN(CCc1ccccc1)c1cnc(C#N)cn1.
What is the InChIKey of 5-[methyl(2-phenylethyl)amino]pyrazine-2-carbonitrile?
The InChIKey is UYRJRKNQFIMDKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4/c1-18(8-7-12-5-3-2-4-6-12)14-11-16-13(9-15)10-17-14/h2-6,10-11H,7-8H2,1H3.
What are the key properties of 5-[methyl(2-phenylethyl)amino]pyrazine-2-carbonitrile?
5-[methyl(2-phenylethyl)amino]pyrazine-2-carbonitrile has a molecular weight of 238.29 g/mol, XLogP of 2.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[methyl(2-phenylethyl)amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 65487650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).