1-benzyl-4-[(3-methoxyphenyl)methyl]pyrazine-2,3-dione

C19H18N2O3 — CID 22520264

IUPAC1-benzyl-4-[(3-methoxyphenyl)methyl]pyrazine-2,3-dione
SMILESCOc1cccc(Cn2ccn(Cc3ccccc3)c(=O)c2=O)c1
InChIInChI=1S/C19H18N2O3/c1-24-17-9-5-8-16(12-17)14-21-11-10-20(18(22)19(21)23)13-15-6-3-2-4-7-15/h2-12H,13-14H2,1H3
InChIKeyAJEQGTGZRJFUNF-UHFFFAOYSA-N
MW322.36 g/mol
LogP2.12
Rot. Bonds5

About 1-benzyl-4-[(3-methoxyphenyl)methyl]pyrazine-2,3-dione

1-benzyl-4-[(3-methoxyphenyl)methyl]pyrazine-2,3-dione (PubChem CID 22520264) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is 1-benzyl-4-[(3-methoxyphenyl)methyl]pyrazine-2,3-dione.

Molecular Properties

Compound Name1-benzyl-4-[(3-methoxyphenyl)methyl]pyrazine-2,3-dione
PubChem CID22520264
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name1-benzyl-4-[(3-methoxyphenyl)methyl]pyrazine-2,3-dione
SMILESCOc1cccc(Cn2ccn(Cc3ccccc3)c(=O)c2=O)c1
InChIInChI=1S/C19H18N2O3/c1-24-17-9-5-8-16(12-17)14-21-11-10-20(18(22)19(21)23)13-15-6-3-2-4-7-15/h2-12H,13-14H2,1H3
InChIKeyAJEQGTGZRJFUNF-UHFFFAOYSA-N
XLogP2.12
TPSA53.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 52.12
H-Bond Donors ≤ 50
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 1-benzyl-4-[(3-methoxyphenyl)methyl]pyrazine-2,3-dione?
The IUPAC name of 1-benzyl-4-[(3-methoxyphenyl)methyl]pyrazine-2,3-dione (CID 22520264) is 1-benzyl-4-[(3-methoxyphenyl)methyl]pyrazine-2,3-dione.
What is the SMILES notation for 1-benzyl-4-[(3-methoxyphenyl)methyl]pyrazine-2,3-dione?
The canonical SMILES for 1-benzyl-4-[(3-methoxyphenyl)methyl]pyrazine-2,3-dione is COc1cccc(Cn2ccn(Cc3ccccc3)c(=O)c2=O)c1.
What is the InChIKey of 1-benzyl-4-[(3-methoxyphenyl)methyl]pyrazine-2,3-dione?
The InChIKey is AJEQGTGZRJFUNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-24-17-9-5-8-16(12-17)14-21-11-10-20(18(22)19(21)23)13-15-6-3-2-4-7-15/h2-12H,13-14H2,1H3.
What are the key properties of 1-benzyl-4-[(3-methoxyphenyl)methyl]pyrazine-2,3-dione?
1-benzyl-4-[(3-methoxyphenyl)methyl]pyrazine-2,3-dione has a molecular weight of 322.36 g/mol, XLogP of 2.12, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[(3-methoxyphenyl)methyl]pyrazine-2,3-dione is sourced from PubChem (CID 22520264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).