1-[4-(2-hydroxy-2-methylpropoxy)phenyl]pyrazin-2-one

C14H16N2O3 — CID 142702825

IUPAC1-[4-(2-hydroxy-2-methylpropoxy)phenyl]pyrazin-2-one
SMILESCC(C)(O)COc1ccc(-n2ccncc2=O)cc1
InChIInChI=1S/C14H16N2O3/c1-14(2,18)10-19-12-5-3-11(4-6-12)16-8-7-15-9-13(16)17/h3-9,18H,10H2,1-2H3
InChIKeyXFWSSUGWDOLSCS-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.38
Rot. Bonds4

About 1-[4-(2-hydroxy-2-methylpropoxy)phenyl]pyrazin-2-one

1-[4-(2-hydroxy-2-methylpropoxy)phenyl]pyrazin-2-one (PubChem CID 142702825) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 1-[4-(2-hydroxy-2-methylpropoxy)phenyl]pyrazin-2-one.

Molecular Properties

Compound Name1-[4-(2-hydroxy-2-methylpropoxy)phenyl]pyrazin-2-one
PubChem CID142702825
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name1-[4-(2-hydroxy-2-methylpropoxy)phenyl]pyrazin-2-one
SMILESCC(C)(O)COc1ccc(-n2ccncc2=O)cc1
InChIInChI=1S/C14H16N2O3/c1-14(2,18)10-19-12-5-3-11(4-6-12)16-8-7-15-9-13(16)17/h3-9,18H,10H2,1-2H3
InChIKeyXFWSSUGWDOLSCS-UHFFFAOYSA-N
XLogP1.38
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-hydroxy-2-methylpropoxy)phenyl]pyrazin-2-one?
The IUPAC name of 1-[4-(2-hydroxy-2-methylpropoxy)phenyl]pyrazin-2-one (CID 142702825) is 1-[4-(2-hydroxy-2-methylpropoxy)phenyl]pyrazin-2-one.
What is the SMILES notation for 1-[4-(2-hydroxy-2-methylpropoxy)phenyl]pyrazin-2-one?
The canonical SMILES for 1-[4-(2-hydroxy-2-methylpropoxy)phenyl]pyrazin-2-one is CC(C)(O)COc1ccc(-n2ccncc2=O)cc1.
What is the InChIKey of 1-[4-(2-hydroxy-2-methylpropoxy)phenyl]pyrazin-2-one?
The InChIKey is XFWSSUGWDOLSCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-14(2,18)10-19-12-5-3-11(4-6-12)16-8-7-15-9-13(16)17/h3-9,18H,10H2,1-2H3.
What are the key properties of 1-[4-(2-hydroxy-2-methylpropoxy)phenyl]pyrazin-2-one?
1-[4-(2-hydroxy-2-methylpropoxy)phenyl]pyrazin-2-one has a molecular weight of 260.29 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-hydroxy-2-methylpropoxy)phenyl]pyrazin-2-one is sourced from PubChem (CID 142702825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).