5-(2-phenylethylamino)pyrazine-2-carbonitrile

C13H12N4 — CID 63658915

IUPAC5-(2-phenylethylamino)pyrazine-2-carbonitrile
SMILESN#Cc1cnc(NCCc2ccccc2)cn1
InChIInChI=1S/C13H12N4/c14-8-12-9-17-13(10-16-12)15-7-6-11-4-2-1-3-5-11/h1-5,9-10H,6-7H2,(H,15,17)
InChIKeyFLCOQQCLWPTXKT-UHFFFAOYSA-N
MW224.27 g/mol
LogP2.00
Rot. Bonds4

About 5-(2-phenylethylamino)pyrazine-2-carbonitrile

5-(2-phenylethylamino)pyrazine-2-carbonitrile (PubChem CID 63658915) has the molecular formula C13H12N4 and a molecular weight of 224.27 g/mol. Its IUPAC name is 5-(2-phenylethylamino)pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-(2-phenylethylamino)pyrazine-2-carbonitrile
PubChem CID63658915
Molecular FormulaC13H12N4
Molecular Weight224.27 g/mol
Exact Mass224.11
IUPAC Name5-(2-phenylethylamino)pyrazine-2-carbonitrile
SMILESN#Cc1cnc(NCCc2ccccc2)cn1
InChIInChI=1S/C13H12N4/c14-8-12-9-17-13(10-16-12)15-7-6-11-4-2-1-3-5-11/h1-5,9-10H,6-7H2,(H,15,17)
InChIKeyFLCOQQCLWPTXKT-UHFFFAOYSA-N
XLogP2.00
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-(1-methylpyrazol-3-yl)ethylamino]pyrazine-2-carbonitrile
CID 104918240
5-(3-methylbutylamino)pyrazine-2-carbonitrile
CID 63660331
5-[(3-chlorophenyl)methylamino]pyrazine-2-carbonitrile
CID 63658175
1-[3-[[(5-cyanopyrazin-2-yl)amino]methyl]phenyl]-3-phenylurea
CID 75510020
5-[methyl(2-phenylethyl)amino]pyrazine-2-carbonitrile
CID 65487650
5-[2-(cycloheptylamino)ethylamino]pyrazine-2-carbonitrile
CID 115306779
5-[[3-(propan-2-ylamino)phenyl]methylamino]pyrazine-2-carbonitrile
CID 133490912
5-[2-[(5-chloro-2-pyridinyl)oxy]ethylamino]pyrazine-2-carbonitrile
CID 133491517
3-(2-phenylethylamino)pyridazine-4-carbonitrile
CID 80509461
5-[[2-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]amino]pyrazine-2-carbonitrile
CID 133485643
4-[(5-cyanopyrazin-2-yl)amino]-5-phenylpentanoic acid
CID 122064321
5-[[3-(pyrazol-1-ylmethyl)phenyl]methylamino]pyrazine-2-carbonitrile
CID 133291347

Frequently Asked Questions

What is the IUPAC name of 5-(2-phenylethylamino)pyrazine-2-carbonitrile?
The IUPAC name of 5-(2-phenylethylamino)pyrazine-2-carbonitrile (CID 63658915) is 5-(2-phenylethylamino)pyrazine-2-carbonitrile.
What is the SMILES notation for 5-(2-phenylethylamino)pyrazine-2-carbonitrile?
The canonical SMILES for 5-(2-phenylethylamino)pyrazine-2-carbonitrile is N#Cc1cnc(NCCc2ccccc2)cn1.
What is the InChIKey of 5-(2-phenylethylamino)pyrazine-2-carbonitrile?
The InChIKey is FLCOQQCLWPTXKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4/c14-8-12-9-17-13(10-16-12)15-7-6-11-4-2-1-3-5-11/h1-5,9-10H,6-7H2,(H,15,17).
What are the key properties of 5-(2-phenylethylamino)pyrazine-2-carbonitrile?
5-(2-phenylethylamino)pyrazine-2-carbonitrile has a molecular weight of 224.27 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-phenylethylamino)pyrazine-2-carbonitrile is sourced from PubChem (CID 63658915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).