2-[2,3-dioxo-4-(1-phenylethyl)pyrazin-1-yl]acetamide

C14H15N3O3 — CID 172905946

IUPAC2-[2,3-dioxo-4-(1-phenylethyl)pyrazin-1-yl]acetamide
SMILESCC(c1ccccc1)n1ccn(CC(N)=O)c(=O)c1=O
InChIInChI=1S/C14H15N3O3/c1-10(11-5-3-2-4-6-11)17-8-7-16(9-12(15)18)13(19)14(17)20/h2-8,10H,9H2,1H3,(H2,15,18)
InChIKeyULOZCBRRWATIBB-UHFFFAOYSA-N
MW273.29 g/mol
LogP0.10
Rot. Bonds4

About 2-[2,3-dioxo-4-(1-phenylethyl)pyrazin-1-yl]acetamide

2-[2,3-dioxo-4-(1-phenylethyl)pyrazin-1-yl]acetamide (PubChem CID 172905946) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 2-[2,3-dioxo-4-(1-phenylethyl)pyrazin-1-yl]acetamide.

Molecular Properties

Compound Name2-[2,3-dioxo-4-(1-phenylethyl)pyrazin-1-yl]acetamide
PubChem CID172905946
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name2-[2,3-dioxo-4-(1-phenylethyl)pyrazin-1-yl]acetamide
SMILESCC(c1ccccc1)n1ccn(CC(N)=O)c(=O)c1=O
InChIInChI=1S/C14H15N3O3/c1-10(11-5-3-2-4-6-11)17-8-7-16(9-12(15)18)13(19)14(17)20/h2-8,10H,9H2,1H3,(H2,15,18)
InChIKeyULOZCBRRWATIBB-UHFFFAOYSA-N
XLogP0.10
TPSA87.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2,3-dioxo-4-(1-phenylethyl)pyrazin-1-yl]acetamide?
The IUPAC name of 2-[2,3-dioxo-4-(1-phenylethyl)pyrazin-1-yl]acetamide (CID 172905946) is 2-[2,3-dioxo-4-(1-phenylethyl)pyrazin-1-yl]acetamide.
What is the SMILES notation for 2-[2,3-dioxo-4-(1-phenylethyl)pyrazin-1-yl]acetamide?
The canonical SMILES for 2-[2,3-dioxo-4-(1-phenylethyl)pyrazin-1-yl]acetamide is CC(c1ccccc1)n1ccn(CC(N)=O)c(=O)c1=O.
What is the InChIKey of 2-[2,3-dioxo-4-(1-phenylethyl)pyrazin-1-yl]acetamide?
The InChIKey is ULOZCBRRWATIBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-10(11-5-3-2-4-6-11)17-8-7-16(9-12(15)18)13(19)14(17)20/h2-8,10H,9H2,1H3,(H2,15,18).
What are the key properties of 2-[2,3-dioxo-4-(1-phenylethyl)pyrazin-1-yl]acetamide?
2-[2,3-dioxo-4-(1-phenylethyl)pyrazin-1-yl]acetamide has a molecular weight of 273.29 g/mol, XLogP of 0.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,3-dioxo-4-(1-phenylethyl)pyrazin-1-yl]acetamide is sourced from PubChem (CID 172905946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).