3-[[2-(ethoxymethyl)phenyl]methylamino]-1-ethylpyrazin-2-one

C16H21N3O2 — CID 62938649

IUPAC3-[[2-(ethoxymethyl)phenyl]methylamino]-1-ethylpyrazin-2-one
SMILESCCOCc1ccccc1CNc1nccn(CC)c1=O
InChIInChI=1S/C16H21N3O2/c1-3-19-10-9-17-15(16(19)20)18-11-13-7-5-6-8-14(13)12-21-4-2/h5-10H,3-4,11-12H2,1-2H3,(H,17,18)
InChIKeyBVRHZDVKTUCOOD-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.41
Rot. Bonds7

About 3-[[2-(ethoxymethyl)phenyl]methylamino]-1-ethylpyrazin-2-one

3-[[2-(ethoxymethyl)phenyl]methylamino]-1-ethylpyrazin-2-one (PubChem CID 62938649) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 3-[[2-(ethoxymethyl)phenyl]methylamino]-1-ethylpyrazin-2-one.

Molecular Properties

Compound Name3-[[2-(ethoxymethyl)phenyl]methylamino]-1-ethylpyrazin-2-one
PubChem CID62938649
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name3-[[2-(ethoxymethyl)phenyl]methylamino]-1-ethylpyrazin-2-one
SMILESCCOCc1ccccc1CNc1nccn(CC)c1=O
InChIInChI=1S/C16H21N3O2/c1-3-19-10-9-17-15(16(19)20)18-11-13-7-5-6-8-14(13)12-21-4-2/h5-10H,3-4,11-12H2,1-2H3,(H,17,18)
InChIKeyBVRHZDVKTUCOOD-UHFFFAOYSA-N
XLogP2.41
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-3-[(2-methylphenyl)methylamino]pyrazin-2-one
CID 62938284
3-[(2-aminophenyl)methylamino]-1-ethylpyrazin-2-one
CID 55157194
1-ethyl-3-[(2-nitrophenyl)methylamino]pyrazin-2-one
CID 62927584
1-ethyl-3-[(1-methyl-3-phenylpyrazol-4-yl)methylamino]pyrazin-2-one
CID 133449127
3-(3-ethoxypropylamino)-1-ethylpyrazin-2-one
CID 62940527
1-ethyl-N-[[2-(methoxymethyl)phenyl]methyl]imidazol-2-amine
CID 62139154
1-ethyl-3-(pyridin-4-ylmethylamino)pyrazin-2-one
CID 62940009
3-[(2,4-difluorophenyl)methylamino]-1-ethylpyrazin-2-one
CID 62927930
3-[(2-methylphenyl)methylamino]-1-(2-methylpropyl)pyrazin-2-one
CID 62938286
3-[(3-chlorophenyl)methylamino]-1-ethylpyrazin-2-one
CID 55156230
3-[[3-(aminomethyl)phenyl]methylamino]-1-ethylpyrazin-2-one
CID 62940139
3-[(3-bromophenyl)methylamino]-1-ethylpyrazin-2-one
CID 62940227

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(ethoxymethyl)phenyl]methylamino]-1-ethylpyrazin-2-one?
The IUPAC name of 3-[[2-(ethoxymethyl)phenyl]methylamino]-1-ethylpyrazin-2-one (CID 62938649) is 3-[[2-(ethoxymethyl)phenyl]methylamino]-1-ethylpyrazin-2-one.
What is the SMILES notation for 3-[[2-(ethoxymethyl)phenyl]methylamino]-1-ethylpyrazin-2-one?
The canonical SMILES for 3-[[2-(ethoxymethyl)phenyl]methylamino]-1-ethylpyrazin-2-one is CCOCc1ccccc1CNc1nccn(CC)c1=O.
What is the InChIKey of 3-[[2-(ethoxymethyl)phenyl]methylamino]-1-ethylpyrazin-2-one?
The InChIKey is BVRHZDVKTUCOOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-3-19-10-9-17-15(16(19)20)18-11-13-7-5-6-8-14(13)12-21-4-2/h5-10H,3-4,11-12H2,1-2H3,(H,17,18).
What are the key properties of 3-[[2-(ethoxymethyl)phenyl]methylamino]-1-ethylpyrazin-2-one?
3-[[2-(ethoxymethyl)phenyl]methylamino]-1-ethylpyrazin-2-one has a molecular weight of 287.36 g/mol, XLogP of 2.41, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(ethoxymethyl)phenyl]methylamino]-1-ethylpyrazin-2-one is sourced from PubChem (CID 62938649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).