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

C15H18N2O2 — CID 132599737

IUPAC6-[(4-hydroxyphenyl)methyl]-3-(2-methylpropyl)-1H-pyrazin-2-one
SMILESCC(C)Cc1ncc(Cc2ccc(O)cc2)[nH]c1=O
InChIInChI=1S/C15H18N2O2/c1-10(2)7-14-15(19)17-12(9-16-14)8-11-3-5-13(18)6-4-11/h3-6,9-10,18H,7-8H2,1-2H3,(H,17,19)
InChIKeyQHLKSESIIKJUHS-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.26
Rot. Bonds4

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

6-[(4-hydroxyphenyl)methyl]-3-(2-methylpropyl)-1H-pyrazin-2-one (PubChem CID 132599737) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 6-[(4-hydroxyphenyl)methyl]-3-(2-methylpropyl)-1H-pyrazin-2-one.

Molecular Properties

Compound Name6-[(4-hydroxyphenyl)methyl]-3-(2-methylpropyl)-1H-pyrazin-2-one
PubChem CID132599737
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name6-[(4-hydroxyphenyl)methyl]-3-(2-methylpropyl)-1H-pyrazin-2-one
SMILESCC(C)Cc1ncc(Cc2ccc(O)cc2)[nH]c1=O
InChIInChI=1S/C15H18N2O2/c1-10(2)7-14-15(19)17-12(9-16-14)8-11-3-5-13(18)6-4-11/h3-6,9-10,18H,7-8H2,1-2H3,(H,17,19)
InChIKeyQHLKSESIIKJUHS-UHFFFAOYSA-N
XLogP2.26
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-hydroxyphenyl)methyl]-3-(2-methylpropyl)-1H-pyrazin-2-one?
The IUPAC name of 6-[(4-hydroxyphenyl)methyl]-3-(2-methylpropyl)-1H-pyrazin-2-one (CID 132599737) is 6-[(4-hydroxyphenyl)methyl]-3-(2-methylpropyl)-1H-pyrazin-2-one.
What is the SMILES notation for 6-[(4-hydroxyphenyl)methyl]-3-(2-methylpropyl)-1H-pyrazin-2-one?
The canonical SMILES for 6-[(4-hydroxyphenyl)methyl]-3-(2-methylpropyl)-1H-pyrazin-2-one is CC(C)Cc1ncc(Cc2ccc(O)cc2)[nH]c1=O.
What is the InChIKey of 6-[(4-hydroxyphenyl)methyl]-3-(2-methylpropyl)-1H-pyrazin-2-one?
The InChIKey is QHLKSESIIKJUHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-10(2)7-14-15(19)17-12(9-16-14)8-11-3-5-13(18)6-4-11/h3-6,9-10,18H,7-8H2,1-2H3,(H,17,19).
What are the key properties of 6-[(4-hydroxyphenyl)methyl]-3-(2-methylpropyl)-1H-pyrazin-2-one?
6-[(4-hydroxyphenyl)methyl]-3-(2-methylpropyl)-1H-pyrazin-2-one has a molecular weight of 258.32 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-hydroxyphenyl)methyl]-3-(2-methylpropyl)-1H-pyrazin-2-one is sourced from PubChem (CID 132599737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).