1,5,6-trimethoxy-3-phenylpyrazin-2-one

C13H14N2O4 — CID 91439199

IUPAC1,5,6-trimethoxy-3-phenylpyrazin-2-one
SMILESCOc1nc(-c2ccccc2)c(=O)n(OC)c1OC
InChIInChI=1S/C13H14N2O4/c1-17-11-13(18-2)15(19-3)12(16)10(14-11)9-7-5-4-6-8-9/h4-8H,1-3H3
InChIKeyHLTSMVMNRCRCQS-UHFFFAOYSA-N
MW262.27 g/mol
LogP0.99
Rot. Bonds4

About 1,5,6-trimethoxy-3-phenylpyrazin-2-one

1,5,6-trimethoxy-3-phenylpyrazin-2-one (PubChem CID 91439199) has the molecular formula C13H14N2O4 and a molecular weight of 262.27 g/mol. Its IUPAC name is 1,5,6-trimethoxy-3-phenylpyrazin-2-one.

Molecular Properties

Compound Name1,5,6-trimethoxy-3-phenylpyrazin-2-one
PubChem CID91439199
Molecular FormulaC13H14N2O4
Molecular Weight262.27 g/mol
Exact Mass262.10
IUPAC Name1,5,6-trimethoxy-3-phenylpyrazin-2-one
SMILESCOc1nc(-c2ccccc2)c(=O)n(OC)c1OC
InChIInChI=1S/C13H14N2O4/c1-17-11-13(18-2)15(19-3)12(16)10(14-11)9-7-5-4-6-8-9/h4-8H,1-3H3
InChIKeyHLTSMVMNRCRCQS-UHFFFAOYSA-N
XLogP0.99
TPSA62.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4,5,10,11-tetramethoxy-16,17-diphenyl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),3,5,8(13),9,11,15,17-nonaene
CID 59650549
6-bromo-7-methoxy-1-methyl-3-phenylquinoxaline-2,5,8-trione
CID 10499684
7-methoxy-6-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 70581292
6,7-difluoro-1-methyl-3-phenylquinoxalin-2-one
CID 162418135
(6-methoxy-5-methyl-3-phenylpyrazin-2-yl) acetate
CID 10753668
2-methoxy-3,5-diphenylpyrazine
CID 13123633
2-methoxy-5-methyl-3-phenylpyrazine
CID 13123635
7-chloro-1-methyl-3-phenylquinoxalin-2-one
CID 163364599
CID 88687788
CID 88687788
7-methyl-2-phenylimidazo[1,2-a]pyrazin-3-one
CID 71346482
1-benzyl-3-methoxy-5-phenylpyrazin-2-one
CID 86053729
3-methoxy-8-methyl-2-phenylimidazo[1,2-a]pyridine
CID 13211847

Frequently Asked Questions

What is the IUPAC name of 1,5,6-trimethoxy-3-phenylpyrazin-2-one?
The IUPAC name of 1,5,6-trimethoxy-3-phenylpyrazin-2-one (CID 91439199) is 1,5,6-trimethoxy-3-phenylpyrazin-2-one.
What is the SMILES notation for 1,5,6-trimethoxy-3-phenylpyrazin-2-one?
The canonical SMILES for 1,5,6-trimethoxy-3-phenylpyrazin-2-one is COc1nc(-c2ccccc2)c(=O)n(OC)c1OC.
What is the InChIKey of 1,5,6-trimethoxy-3-phenylpyrazin-2-one?
The InChIKey is HLTSMVMNRCRCQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c1-17-11-13(18-2)15(19-3)12(16)10(14-11)9-7-5-4-6-8-9/h4-8H,1-3H3.
What are the key properties of 1,5,6-trimethoxy-3-phenylpyrazin-2-one?
1,5,6-trimethoxy-3-phenylpyrazin-2-one has a molecular weight of 262.27 g/mol, XLogP of 0.99, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,6-trimethoxy-3-phenylpyrazin-2-one is sourced from PubChem (CID 91439199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).