Name: Name:3-(1-Methylethyl)-6-(phenylMethyl)-2(1H)-pyrazinone
Brand: Angene
SKU: AG00AE2M
Rating: 90 (10 reviews)

3-(1-Methylethyl)-6-(phenylMethyl)-2(1H)-pyrazinone

CAS No.:

170713-71-0

Catalog Number:

AG00AE2M

Molecular Formula:

C14H16N2O

Molecular Weight:

228.2896

Pack Size

Purity

Availability

Location

Price(USD)

Quantity

1mg

≥95%

1 week

United States

$300

- +

250mg

97%

1 week

United States

$369

- +

Product Description

Catalog Number:

AG00AE2M

Chemical Name:

3-(1-Methylethyl)-6-(phenylMethyl)-2(1H)-pyrazinone

CAS Number:

170713-71-0

Molecular Formula:

C14H16N2O

Molecular Weight:

228.2896

MDL Number:

MFCD00215825

IUPAC Name:

6-benzyl-3-propan-2-yl-1H-pyrazin-2-one

InChI:

InChI=1S/C14H16N2O/c1-10(2)13-14(17)16-12(9-15-13)8-11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H,16,17)

InChI Key:

CZUORGWXUVRUMV-UHFFFAOYSA-N

SMILES:

CC(c1ncc([nH]c1=O)Cc1ccccc1)C

Properties

Complexity:

349

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

228.126g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

228.295g/mol

Monoisotopic Mass:

228.126g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

41.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.2

Literature

Title	Journal
A family of pyrazinone natural products from a conserved nonribosomal peptide synthetase in Staphylococcus aureus.	Chemistry & biology 20100924
Synthesis of a small library of diketopiperazines as potential inhibitors of calpain.	Bioorganic & medicinal chemistry letters 20050615
Synthesis of a reported calpain inhibitor isolated from Streptomyces griseus.	Bioorganic & medicinal chemistry letters 20011008