1-tert-butyl-3-(3-hydroxy-5-methylphenoxy)pyrazin-2-one

C15H18N2O3 — CID 107680512

IUPAC1-tert-butyl-3-(3-hydroxy-5-methylphenoxy)pyrazin-2-one
SMILESCc1cc(O)cc(Oc2nccn(C(C)(C)C)c2=O)c1
InChIInChI=1S/C15H18N2O3/c1-10-7-11(18)9-12(8-10)20-13-14(19)17(6-5-16-13)15(2,3)4/h5-9,18H,1-4H3
InChIKeyUZLXHGMNHCJHOR-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.80
Rot. Bonds2

About 1-tert-butyl-3-(3-hydroxy-5-methylphenoxy)pyrazin-2-one

1-tert-butyl-3-(3-hydroxy-5-methylphenoxy)pyrazin-2-one (PubChem CID 107680512) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 1-tert-butyl-3-(3-hydroxy-5-methylphenoxy)pyrazin-2-one.

Molecular Properties

Compound Name1-tert-butyl-3-(3-hydroxy-5-methylphenoxy)pyrazin-2-one
PubChem CID107680512
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name1-tert-butyl-3-(3-hydroxy-5-methylphenoxy)pyrazin-2-one
SMILESCc1cc(O)cc(Oc2nccn(C(C)(C)C)c2=O)c1
InChIInChI=1S/C15H18N2O3/c1-10-7-11(18)9-12(8-10)20-13-14(19)17(6-5-16-13)15(2,3)4/h5-9,18H,1-4H3
InChIKeyUZLXHGMNHCJHOR-UHFFFAOYSA-N
XLogP2.80
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-amino-5-chlorophenoxy)-1-tert-butylpyrazin-2-one
CID 62927261
3-(2-amino-2-methylpropoxy)-1-tert-butylpyrazin-2-one
CID 64538802
3-methyl-5-pyrimidin-2-yloxyphenol
CID 107680712
3-[4-(aminomethyl)-2-chlorophenoxy]-1-tert-butylpyrazin-2-one
CID 62929752
3-methyl-5-[(3-nitro-2-pyridinyl)oxy]phenol
CID 107680779
5-amino-2-(4-tert-butyl-3-oxopyrazin-2-yl)oxybenzonitrile
CID 62928301
1-tert-butyl-3-[2-(methylaminomethyl)phenoxy]pyrazin-2-one
CID 106485544
1-tert-butyl-3-[2-(propylamino)ethoxy]pyrazin-2-one
CID 62928881
3-[(3,5-difluoro-2-pyridinyl)oxy]-5-methylphenol
CID 107680983
3-methyl-5-(4-methylpyrimidin-2-yl)oxyphenol
CID 107680799
1-tert-butyl-3-(2-methylimidazol-1-yl)pyrazin-2-one
CID 63812145
3-(5-bromopyrimidin-2-yl)oxy-5-methylphenol
CID 107680637

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(3-hydroxy-5-methylphenoxy)pyrazin-2-one?
The IUPAC name of 1-tert-butyl-3-(3-hydroxy-5-methylphenoxy)pyrazin-2-one (CID 107680512) is 1-tert-butyl-3-(3-hydroxy-5-methylphenoxy)pyrazin-2-one.
What is the SMILES notation for 1-tert-butyl-3-(3-hydroxy-5-methylphenoxy)pyrazin-2-one?
The canonical SMILES for 1-tert-butyl-3-(3-hydroxy-5-methylphenoxy)pyrazin-2-one is Cc1cc(O)cc(Oc2nccn(C(C)(C)C)c2=O)c1.
What is the InChIKey of 1-tert-butyl-3-(3-hydroxy-5-methylphenoxy)pyrazin-2-one?
The InChIKey is UZLXHGMNHCJHOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-10-7-11(18)9-12(8-10)20-13-14(19)17(6-5-16-13)15(2,3)4/h5-9,18H,1-4H3.
What are the key properties of 1-tert-butyl-3-(3-hydroxy-5-methylphenoxy)pyrazin-2-one?
1-tert-butyl-3-(3-hydroxy-5-methylphenoxy)pyrazin-2-one has a molecular weight of 274.32 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(3-hydroxy-5-methylphenoxy)pyrazin-2-one is sourced from PubChem (CID 107680512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).