3-(3-methoxyphenyl)-6-methyl-1H-pyrazin-2-one

C12H12N2O2 — CID 125458438

IUPAC3-(3-methoxyphenyl)-6-methyl-1H-pyrazin-2-one
SMILESCOc1cccc(-c2ncc(C)[nH]c2=O)c1
InChIInChI=1S/C12H12N2O2/c1-8-7-13-11(12(15)14-8)9-4-3-5-10(6-9)16-2/h3-7H,1-2H3,(H,14,15)
InChIKeySCJOLLZGPSGOGC-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.75
Rot. Bonds2

About 3-(3-methoxyphenyl)-6-methyl-1H-pyrazin-2-one

3-(3-methoxyphenyl)-6-methyl-1H-pyrazin-2-one (PubChem CID 125458438) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-6-methyl-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-6-methyl-1H-pyrazin-2-one
PubChem CID125458438
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name3-(3-methoxyphenyl)-6-methyl-1H-pyrazin-2-one
SMILESCOc1cccc(-c2ncc(C)[nH]c2=O)c1
InChIInChI=1S/C12H12N2O2/c1-8-7-13-11(12(15)14-8)9-4-3-5-10(6-9)16-2/h3-7H,1-2H3,(H,14,15)
InChIKeySCJOLLZGPSGOGC-UHFFFAOYSA-N
XLogP1.75
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-methoxyphenyl)-2,5-dimethyl-1H-pyrimidin-6-one
CID 136955442
4-(3-methoxyphenyl)-5-methyl-1H-pyrimidin-6-one
CID 136692138
6-(azirin-1-yl)-5-(3-methoxyphenyl)-1H-pyrimidin-2-one
CID 91050599
CID 89206680
CID 89206680
2,3,5,6-tetrakis(3-methoxyphenyl)pyrazine
CID 132941107
3-amino-5,6-bis(3-methoxyphenyl)-1H-pyrazin-2-one
CID 132588517
4-[2-(3-methoxyphenyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168584675
2-(3-methoxyphenyl)-3,5-diphenylpyridine
CID 57041799
4-(3-methoxyphenyl)-6-oxo-1H-pyrimidine-5-carbonitrile
CID 135518067
2-(3-methoxyphenyl)-5-methylpyrimidine
CID 121432653
3-(3-methoxyphenyl)-1,4-dihydro-1,2,4-triazol-5-one
CID 135421750
azane;1-methoxy-3-(3-methoxyphenyl)benzene
CID 174719266

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-6-methyl-1H-pyrazin-2-one?
The IUPAC name of 3-(3-methoxyphenyl)-6-methyl-1H-pyrazin-2-one (CID 125458438) is 3-(3-methoxyphenyl)-6-methyl-1H-pyrazin-2-one.
What is the SMILES notation for 3-(3-methoxyphenyl)-6-methyl-1H-pyrazin-2-one?
The canonical SMILES for 3-(3-methoxyphenyl)-6-methyl-1H-pyrazin-2-one is COc1cccc(-c2ncc(C)[nH]c2=O)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-6-methyl-1H-pyrazin-2-one?
The InChIKey is SCJOLLZGPSGOGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-8-7-13-11(12(15)14-8)9-4-3-5-10(6-9)16-2/h3-7H,1-2H3,(H,14,15).
What are the key properties of 3-(3-methoxyphenyl)-6-methyl-1H-pyrazin-2-one?
3-(3-methoxyphenyl)-6-methyl-1H-pyrazin-2-one has a molecular weight of 216.24 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-6-methyl-1H-pyrazin-2-one is sourced from PubChem (CID 125458438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).