3-[(3-ethoxyphenyl)methylamino]-1-propylpyrazin-2-one

C16H21N3O2 — CID 62940904

IUPAC3-[(3-ethoxyphenyl)methylamino]-1-propylpyrazin-2-one
SMILESCCCn1ccnc(NCc2cccc(OCC)c2)c1=O
InChIInChI=1S/C16H21N3O2/c1-3-9-19-10-8-17-15(16(19)20)18-12-13-6-5-7-14(11-13)21-4-2/h5-8,10-11H,3-4,9,12H2,1-2H3,(H,17,18)
InChIKeyJRSQMGMGSTUFIS-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.66
Rot. Bonds7

About 3-[(3-ethoxyphenyl)methylamino]-1-propylpyrazin-2-one

3-[(3-ethoxyphenyl)methylamino]-1-propylpyrazin-2-one (PubChem CID 62940904) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 3-[(3-ethoxyphenyl)methylamino]-1-propylpyrazin-2-one.

Molecular Properties

Compound Name3-[(3-ethoxyphenyl)methylamino]-1-propylpyrazin-2-one
PubChem CID62940904
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name3-[(3-ethoxyphenyl)methylamino]-1-propylpyrazin-2-one
SMILESCCCn1ccnc(NCc2cccc(OCC)c2)c1=O
InChIInChI=1S/C16H21N3O2/c1-3-9-19-10-8-17-15(16(19)20)18-12-13-6-5-7-14(11-13)21-4-2/h5-8,10-11H,3-4,9,12H2,1-2H3,(H,17,18)
InChIKeyJRSQMGMGSTUFIS-UHFFFAOYSA-N
XLogP2.66
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 ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3-chlorophenyl)methylamino]-1-propylpyrazin-2-one
CID 62928989
1-propyl-3-(pyridin-3-ylmethylamino)pyrazin-2-one
CID 55155833
3-[[4-(aminomethyl)phenyl]methylamino]-1-propylpyrazin-2-one
CID 62940846
3-[[3-(aminomethyl)phenyl]methylamino]-1-ethylpyrazin-2-one
CID 62940139
3-[(3-chlorophenyl)methylamino]-1-ethylpyrazin-2-one
CID 55156230
3-[(3-bromophenyl)methylamino]-1-ethylpyrazin-2-one
CID 62940227
3-[(6-methyl-2-pyridinyl)methylamino]-1-propylpyrazin-2-one
CID 62928286
N-[(3-ethoxyphenyl)methyl]-3-methylsulfonylpyridin-2-amine
CID 114598676
3-[(3-methyl-4-pyridinyl)methylamino]-1-propylpyrazin-2-one
CID 114701033
3-[(2,5-difluorophenyl)methylamino]-1-propylpyrazin-2-one
CID 63795521
1-ethyl-3-(pyridin-4-ylmethylamino)pyrazin-2-one
CID 62940009
3-[(1-methyl-1,2,4-triazol-3-yl)methylamino]-1-propylpyrazin-2-one
CID 114125963

Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethoxyphenyl)methylamino]-1-propylpyrazin-2-one?
The IUPAC name of 3-[(3-ethoxyphenyl)methylamino]-1-propylpyrazin-2-one (CID 62940904) is 3-[(3-ethoxyphenyl)methylamino]-1-propylpyrazin-2-one.
What is the SMILES notation for 3-[(3-ethoxyphenyl)methylamino]-1-propylpyrazin-2-one?
The canonical SMILES for 3-[(3-ethoxyphenyl)methylamino]-1-propylpyrazin-2-one is CCCn1ccnc(NCc2cccc(OCC)c2)c1=O.
What is the InChIKey of 3-[(3-ethoxyphenyl)methylamino]-1-propylpyrazin-2-one?
The InChIKey is JRSQMGMGSTUFIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-3-9-19-10-8-17-15(16(19)20)18-12-13-6-5-7-14(11-13)21-4-2/h5-8,10-11H,3-4,9,12H2,1-2H3,(H,17,18).
What are the key properties of 3-[(3-ethoxyphenyl)methylamino]-1-propylpyrazin-2-one?
3-[(3-ethoxyphenyl)methylamino]-1-propylpyrazin-2-one has a molecular weight of 287.36 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-ethoxyphenyl)methylamino]-1-propylpyrazin-2-one is sourced from PubChem (CID 62940904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).