3-benzyl-6-[(4-hydroxyphenyl)methyl]-1H-pyrazin-2-one

C18H16N2O2 — CID 132599738

IUPAC3-benzyl-6-[(4-hydroxyphenyl)methyl]-1H-pyrazin-2-one
SMILESO=c1[nH]c(Cc2ccc(O)cc2)cnc1Cc1ccccc1
InChIInChI=1S/C18H16N2O2/c21-16-8-6-14(7-9-16)10-15-12-19-17(18(22)20-15)11-13-4-2-1-3-5-13/h1-9,12,21H,10-11H2,(H,20,22)
InChIKeyLBNQMJZBIOGTPK-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.66
Rot. Bonds4

About 3-benzyl-6-[(4-hydroxyphenyl)methyl]-1H-pyrazin-2-one

3-benzyl-6-[(4-hydroxyphenyl)methyl]-1H-pyrazin-2-one (PubChem CID 132599738) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 3-benzyl-6-[(4-hydroxyphenyl)methyl]-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-benzyl-6-[(4-hydroxyphenyl)methyl]-1H-pyrazin-2-one
PubChem CID132599738
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name3-benzyl-6-[(4-hydroxyphenyl)methyl]-1H-pyrazin-2-one
SMILESO=c1[nH]c(Cc2ccc(O)cc2)cnc1Cc1ccccc1
InChIInChI=1S/C18H16N2O2/c21-16-8-6-14(7-9-16)10-15-12-19-17(18(22)20-15)11-13-4-2-1-3-5-13/h1-9,12,21H,10-11H2,(H,20,22)
InChIKeyLBNQMJZBIOGTPK-UHFFFAOYSA-N
XLogP2.66
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-6-[(4-hydroxyphenyl)methyl]-1H-pyrazin-2-one?
The IUPAC name of 3-benzyl-6-[(4-hydroxyphenyl)methyl]-1H-pyrazin-2-one (CID 132599738) is 3-benzyl-6-[(4-hydroxyphenyl)methyl]-1H-pyrazin-2-one.
What is the SMILES notation for 3-benzyl-6-[(4-hydroxyphenyl)methyl]-1H-pyrazin-2-one?
The canonical SMILES for 3-benzyl-6-[(4-hydroxyphenyl)methyl]-1H-pyrazin-2-one is O=c1[nH]c(Cc2ccc(O)cc2)cnc1Cc1ccccc1.
What is the InChIKey of 3-benzyl-6-[(4-hydroxyphenyl)methyl]-1H-pyrazin-2-one?
The InChIKey is LBNQMJZBIOGTPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c21-16-8-6-14(7-9-16)10-15-12-19-17(18(22)20-15)11-13-4-2-1-3-5-13/h1-9,12,21H,10-11H2,(H,20,22).
What are the key properties of 3-benzyl-6-[(4-hydroxyphenyl)methyl]-1H-pyrazin-2-one?
3-benzyl-6-[(4-hydroxyphenyl)methyl]-1H-pyrazin-2-one has a molecular weight of 292.34 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-6-[(4-hydroxyphenyl)methyl]-1H-pyrazin-2-one is sourced from PubChem (CID 132599738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).