3-(3-methoxypropylamino)-1-(2-oxopentan-3-yl)pyrazin-2-one

C13H21N3O3 — CID 22969699

IUPAC3-(3-methoxypropylamino)-1-(2-oxopentan-3-yl)pyrazin-2-one
SMILESCCC(C(C)=O)n1ccnc(NCCCOC)c1=O
InChIInChI=1S/C13H21N3O3/c1-4-11(10(2)17)16-8-7-15-12(13(16)18)14-6-5-9-19-3/h7-8,11H,4-6,9H2,1-3H3,(H,14,15)
InChIKeyQRJFMTVYEQKJLI-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.23
Rot. Bonds8

About 3-(3-methoxypropylamino)-1-(2-oxopentan-3-yl)pyrazin-2-one

3-(3-methoxypropylamino)-1-(2-oxopentan-3-yl)pyrazin-2-one (PubChem CID 22969699) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 3-(3-methoxypropylamino)-1-(2-oxopentan-3-yl)pyrazin-2-one.

Molecular Properties

Compound Name3-(3-methoxypropylamino)-1-(2-oxopentan-3-yl)pyrazin-2-one
PubChem CID22969699
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name3-(3-methoxypropylamino)-1-(2-oxopentan-3-yl)pyrazin-2-one
SMILESCCC(C(C)=O)n1ccnc(NCCCOC)c1=O
InChIInChI=1S/C13H21N3O3/c1-4-11(10(2)17)16-8-7-15-12(13(16)18)14-6-5-9-19-3/h7-8,11H,4-6,9H2,1-3H3,(H,14,15)
InChIKeyQRJFMTVYEQKJLI-UHFFFAOYSA-N
XLogP1.23
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(Propan-2-yl)amino]-1-propyl-1,2-dihydropyrazin-2-one
CID 53015090
1-(Propan-2-yl)-3-(propylamino)-1,2-dihydropyrazin-2-one
CID 53015093
3-(2-Methoxyethylamino)-1-(2-oxopentan-3-yl)pyrazin-2-one
CID 22969695
1-(2-Oxopentan-3-yl)-3-(4-oxopentylamino)pyrazin-2-one
CID 22969712
1-(2-Oxopentan-3-yl)-3-(2-oxopropylamino)pyrazin-2-one
CID 22969754
3-(Methylamino)-1-(3-oxobutan-2-yl)pyrazin-2-one
CID 89803166
2-[3-(2,3-diiminobutylamino)-2-oxopyrazin-1-yl]-N-(2-oxopropyl)butanamide
CID 142039095
2-[(4-methyl-3-oxopyrazin-2-yl)amino]-N-propylpropanamide
CID 55133100
2-[(3-oxo-4-propylpyrazin-2-yl)amino]-N-propylpropanamide
CID 55155269
3-(Oxan-4-ylamino)-1-propylpyrazin-2-one
CID 55155453
3-(3-Ethoxypropylamino)-1-(2-methylpropyl)pyrazin-2-one
CID 55155639
1-Tert-butyl-3-(3-methoxypropylamino)pyrazin-2-one
CID 55156219

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxypropylamino)-1-(2-oxopentan-3-yl)pyrazin-2-one?
The IUPAC name of 3-(3-methoxypropylamino)-1-(2-oxopentan-3-yl)pyrazin-2-one (CID 22969699) is 3-(3-methoxypropylamino)-1-(2-oxopentan-3-yl)pyrazin-2-one.
What is the SMILES notation for 3-(3-methoxypropylamino)-1-(2-oxopentan-3-yl)pyrazin-2-one?
The canonical SMILES for 3-(3-methoxypropylamino)-1-(2-oxopentan-3-yl)pyrazin-2-one is CCC(C(C)=O)n1ccnc(NCCCOC)c1=O.
What is the InChIKey of 3-(3-methoxypropylamino)-1-(2-oxopentan-3-yl)pyrazin-2-one?
The InChIKey is QRJFMTVYEQKJLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-4-11(10(2)17)16-8-7-15-12(13(16)18)14-6-5-9-19-3/h7-8,11H,4-6,9H2,1-3H3,(H,14,15).
What are the key properties of 3-(3-methoxypropylamino)-1-(2-oxopentan-3-yl)pyrazin-2-one?
3-(3-methoxypropylamino)-1-(2-oxopentan-3-yl)pyrazin-2-one has a molecular weight of 267.33 g/mol, XLogP of 1.23, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxypropylamino)-1-(2-oxopentan-3-yl)pyrazin-2-one is sourced from PubChem (CID 22969699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).