3-[benzyl(ethyl)amino]-1-pyrazin-2-ylpropan-1-one

C16H19N3O — CID 46231562

IUPAC3-[benzyl(ethyl)amino]-1-pyrazin-2-ylpropan-1-one
SMILESCCN(CCC(=O)c1cnccn1)Cc1ccccc1
InChIInChI=1S/C16H19N3O/c1-2-19(13-14-6-4-3-5-7-14)11-8-16(20)15-12-17-9-10-18-15/h3-7,9-10,12H,2,8,11,13H2,1H3
InChIKeyFCFINRGEKBTZEZ-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.57
Rot. Bonds7

About 3-[benzyl(ethyl)amino]-1-pyrazin-2-ylpropan-1-one

3-[benzyl(ethyl)amino]-1-pyrazin-2-ylpropan-1-one (PubChem CID 46231562) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 3-[benzyl(ethyl)amino]-1-pyrazin-2-ylpropan-1-one.

Molecular Properties

Compound Name3-[benzyl(ethyl)amino]-1-pyrazin-2-ylpropan-1-one
PubChem CID46231562
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name3-[benzyl(ethyl)amino]-1-pyrazin-2-ylpropan-1-one
SMILESCCN(CCC(=O)c1cnccn1)Cc1ccccc1
InChIInChI=1S/C16H19N3O/c1-2-19(13-14-6-4-3-5-7-14)11-8-16(20)15-12-17-9-10-18-15/h3-7,9-10,12H,2,8,11,13H2,1H3
InChIKeyFCFINRGEKBTZEZ-UHFFFAOYSA-N
XLogP2.57
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(ethyl)amino]-1-pyrazin-2-ylpropan-1-one?
The IUPAC name of 3-[benzyl(ethyl)amino]-1-pyrazin-2-ylpropan-1-one (CID 46231562) is 3-[benzyl(ethyl)amino]-1-pyrazin-2-ylpropan-1-one.
What is the SMILES notation for 3-[benzyl(ethyl)amino]-1-pyrazin-2-ylpropan-1-one?
The canonical SMILES for 3-[benzyl(ethyl)amino]-1-pyrazin-2-ylpropan-1-one is CCN(CCC(=O)c1cnccn1)Cc1ccccc1.
What is the InChIKey of 3-[benzyl(ethyl)amino]-1-pyrazin-2-ylpropan-1-one?
The InChIKey is FCFINRGEKBTZEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-2-19(13-14-6-4-3-5-7-14)11-8-16(20)15-12-17-9-10-18-15/h3-7,9-10,12H,2,8,11,13H2,1H3.
What are the key properties of 3-[benzyl(ethyl)amino]-1-pyrazin-2-ylpropan-1-one?
3-[benzyl(ethyl)amino]-1-pyrazin-2-ylpropan-1-one has a molecular weight of 269.35 g/mol, XLogP of 2.57, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(ethyl)amino]-1-pyrazin-2-ylpropan-1-one is sourced from PubChem (CID 46231562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).