2-hydroxy-3-phenylpyrazino[1,2-a]pyrimidin-4-one

C13H9N3O2 — CID 135574819

IUPAC2-hydroxy-3-phenylpyrazino[1,2-a]pyrimidin-4-one
SMILESO=c1c(-c2ccccc2)c(O)nc2cnccn12
InChIInChI=1S/C13H9N3O2/c17-12-11(9-4-2-1-3-5-9)13(18)16-7-6-14-8-10(16)15-12/h1-8,17H
InChIKeyBHBLOBRJLDMUNP-UHFFFAOYSA-N
MW239.23 g/mol
LogP1.46
Rot. Bonds1

About 2-hydroxy-3-phenylpyrazino[1,2-a]pyrimidin-4-one

2-hydroxy-3-phenylpyrazino[1,2-a]pyrimidin-4-one (PubChem CID 135574819) has the molecular formula C13H9N3O2 and a molecular weight of 239.23 g/mol. Its IUPAC name is 2-hydroxy-3-phenylpyrazino[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-hydroxy-3-phenylpyrazino[1,2-a]pyrimidin-4-one
PubChem CID135574819
Molecular FormulaC13H9N3O2
Molecular Weight239.23 g/mol
Exact Mass239.07
IUPAC Name2-hydroxy-3-phenylpyrazino[1,2-a]pyrimidin-4-one
SMILESO=c1c(-c2ccccc2)c(O)nc2cnccn12
InChIInChI=1S/C13H9N3O2/c17-12-11(9-4-2-1-3-5-9)13(18)16-7-6-14-8-10(16)15-12/h1-8,17H
InChIKeyBHBLOBRJLDMUNP-UHFFFAOYSA-N
XLogP1.46
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-phenylpyrazino[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-hydroxy-3-phenylpyrazino[1,2-a]pyrimidin-4-one (CID 135574819) is 2-hydroxy-3-phenylpyrazino[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-hydroxy-3-phenylpyrazino[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-hydroxy-3-phenylpyrazino[1,2-a]pyrimidin-4-one is O=c1c(-c2ccccc2)c(O)nc2cnccn12.
What is the InChIKey of 2-hydroxy-3-phenylpyrazino[1,2-a]pyrimidin-4-one?
The InChIKey is BHBLOBRJLDMUNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O2/c17-12-11(9-4-2-1-3-5-9)13(18)16-7-6-14-8-10(16)15-12/h1-8,17H.
What are the key properties of 2-hydroxy-3-phenylpyrazino[1,2-a]pyrimidin-4-one?
2-hydroxy-3-phenylpyrazino[1,2-a]pyrimidin-4-one has a molecular weight of 239.23 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-phenylpyrazino[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 135574819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).