2-benzyl-8,9-dihydroxypyrido[1,2-a]pyrazine-1,6-dione

C15H12N2O4 — CID 54683719

IUPAC2-benzyl-8,9-dihydroxypyrido[1,2-a]pyrazine-1,6-dione
SMILESO=c1c2c(O)c(O)cc(=O)n2ccn1Cc1ccccc1
InChIInChI=1S/C15H12N2O4/c18-11-8-12(19)17-7-6-16(15(21)13(17)14(11)20)9-10-4-2-1-3-5-10/h1-8,18,20H,9H2
InChIKeyFDDQPKPESBZBOL-UHFFFAOYSA-N
MW284.27 g/mol
LogP0.92
Rot. Bonds2

About 2-benzyl-8,9-dihydroxypyrido[1,2-a]pyrazine-1,6-dione

2-benzyl-8,9-dihydroxypyrido[1,2-a]pyrazine-1,6-dione (PubChem CID 54683719) has the molecular formula C15H12N2O4 and a molecular weight of 284.27 g/mol. Its IUPAC name is 2-benzyl-8,9-dihydroxypyrido[1,2-a]pyrazine-1,6-dione.

Molecular Properties

Compound Name2-benzyl-8,9-dihydroxypyrido[1,2-a]pyrazine-1,6-dione
PubChem CID54683719
Molecular FormulaC15H12N2O4
Molecular Weight284.27 g/mol
Exact Mass284.08
IUPAC Name2-benzyl-8,9-dihydroxypyrido[1,2-a]pyrazine-1,6-dione
SMILESO=c1c2c(O)c(O)cc(=O)n2ccn1Cc1ccccc1
InChIInChI=1S/C15H12N2O4/c18-11-8-12(19)17-7-6-16(15(21)13(17)14(11)20)9-10-4-2-1-3-5-10/h1-8,18,20H,9H2
InChIKeyFDDQPKPESBZBOL-UHFFFAOYSA-N
XLogP0.92
TPSA83.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-8,9-dihydroxypyrido[1,2-a]pyrazine-1,6-dione?
The IUPAC name of 2-benzyl-8,9-dihydroxypyrido[1,2-a]pyrazine-1,6-dione (CID 54683719) is 2-benzyl-8,9-dihydroxypyrido[1,2-a]pyrazine-1,6-dione.
What is the SMILES notation for 2-benzyl-8,9-dihydroxypyrido[1,2-a]pyrazine-1,6-dione?
The canonical SMILES for 2-benzyl-8,9-dihydroxypyrido[1,2-a]pyrazine-1,6-dione is O=c1c2c(O)c(O)cc(=O)n2ccn1Cc1ccccc1.
What is the InChIKey of 2-benzyl-8,9-dihydroxypyrido[1,2-a]pyrazine-1,6-dione?
The InChIKey is FDDQPKPESBZBOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O4/c18-11-8-12(19)17-7-6-16(15(21)13(17)14(11)20)9-10-4-2-1-3-5-10/h1-8,18,20H,9H2.
What are the key properties of 2-benzyl-8,9-dihydroxypyrido[1,2-a]pyrazine-1,6-dione?
2-benzyl-8,9-dihydroxypyrido[1,2-a]pyrazine-1,6-dione has a molecular weight of 284.27 g/mol, XLogP of 0.92, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-8,9-dihydroxypyrido[1,2-a]pyrazine-1,6-dione is sourced from PubChem (CID 54683719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).