3-[2-(3-methoxyphenyl)ethylamino]-1-methylpyrazin-2-one

C14H17N3O2 — CID 103702647

IUPAC3-[2-(3-methoxyphenyl)ethylamino]-1-methylpyrazin-2-one
SMILESCOc1cccc(CCNc2nccn(C)c2=O)c1
InChIInChI=1S/C14H17N3O2/c1-17-9-8-16-13(14(17)18)15-7-6-11-4-3-5-12(10-11)19-2/h3-5,8-10H,6-7H2,1-2H3,(H,15,16)
InChIKeyKFIPLQRABWBQTK-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.44
Rot. Bonds5

About 3-[2-(3-methoxyphenyl)ethylamino]-1-methylpyrazin-2-one

3-[2-(3-methoxyphenyl)ethylamino]-1-methylpyrazin-2-one (PubChem CID 103702647) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 3-[2-(3-methoxyphenyl)ethylamino]-1-methylpyrazin-2-one.

Molecular Properties

Compound Name3-[2-(3-methoxyphenyl)ethylamino]-1-methylpyrazin-2-one
PubChem CID103702647
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name3-[2-(3-methoxyphenyl)ethylamino]-1-methylpyrazin-2-one
SMILESCOc1cccc(CCNc2nccn(C)c2=O)c1
InChIInChI=1S/C14H17N3O2/c1-17-9-8-16-13(14(17)18)15-7-6-11-4-3-5-12(10-11)19-2/h3-5,8-10H,6-7H2,1-2H3,(H,15,16)
InChIKeyKFIPLQRABWBQTK-UHFFFAOYSA-N
XLogP1.44
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(3-methoxyphenyl)ethylamino]-1H-pyrazin-2-one
CID 103702655
3-[2-(3,4-dimethoxyphenyl)ethylamino]-1-(3-methoxyphenyl)pyrazin-2-one
CID 20941622
3-fluoro-N-[2-(3-methoxyphenyl)ethyl]pyridin-2-amine
CID 103741704
2-[2-(3-methoxyphenyl)ethylamino]-4-methylpyridine-3-carboxylic acid
CID 107854772
N-[2-(3-methoxyphenyl)ethyl]furo[3,2-c]pyridin-4-amine
CID 103702656
3-amino-2-[2-(3-methoxyphenyl)ethylamino]pyridine-4-carboxylic acid
CID 107856230
[8-[2-(3-methoxyphenyl)ethylamino]-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-propan-2-ylcarbamic acid
CID 67250729
1-methyl-3-[2-(1-methylpyrazol-3-yl)ethylamino]pyrazin-2-one
CID 104626468
1-(3-fluoro-4-methylphenyl)-3-[(3-methoxyphenyl)methylamino]pyrazin-2-one
CID 16824611
5-methoxy-N-[2-(3-methoxyphenyl)ethyl]pyridin-2-amine
CID 104861065
1-methyl-3-(octylamino)pyrazin-2-one
CID 113337455
5-chloro-3-fluoro-N-[2-(3-methoxyphenyl)ethyl]pyridin-2-amine
CID 103738561

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-methoxyphenyl)ethylamino]-1-methylpyrazin-2-one?
The IUPAC name of 3-[2-(3-methoxyphenyl)ethylamino]-1-methylpyrazin-2-one (CID 103702647) is 3-[2-(3-methoxyphenyl)ethylamino]-1-methylpyrazin-2-one.
What is the SMILES notation for 3-[2-(3-methoxyphenyl)ethylamino]-1-methylpyrazin-2-one?
The canonical SMILES for 3-[2-(3-methoxyphenyl)ethylamino]-1-methylpyrazin-2-one is COc1cccc(CCNc2nccn(C)c2=O)c1.
What is the InChIKey of 3-[2-(3-methoxyphenyl)ethylamino]-1-methylpyrazin-2-one?
The InChIKey is KFIPLQRABWBQTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-17-9-8-16-13(14(17)18)15-7-6-11-4-3-5-12(10-11)19-2/h3-5,8-10H,6-7H2,1-2H3,(H,15,16).
What are the key properties of 3-[2-(3-methoxyphenyl)ethylamino]-1-methylpyrazin-2-one?
3-[2-(3-methoxyphenyl)ethylamino]-1-methylpyrazin-2-one has a molecular weight of 259.31 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-methoxyphenyl)ethylamino]-1-methylpyrazin-2-one is sourced from PubChem (CID 103702647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).