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

C12H19N3O3 — CID 22969695

IUPAC3-(2-methoxyethylamino)-1-(2-oxopentan-3-yl)pyrazin-2-one
SMILESCCC(C(C)=O)n1ccnc(NCCOC)c1=O
InChIInChI=1S/C12H19N3O3/c1-4-10(9(2)16)15-7-5-13-11(12(15)17)14-6-8-18-3/h5,7,10H,4,6,8H2,1-3H3,(H,13,14)
InChIKeyAXOLPEVPUUZBNM-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.84
Rot. Bonds7

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

3-(2-methoxyethylamino)-1-(2-oxopentan-3-yl)pyrazin-2-one (PubChem CID 22969695) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 3-(2-methoxyethylamino)-1-(2-oxopentan-3-yl)pyrazin-2-one.

Molecular Properties

Compound Name3-(2-methoxyethylamino)-1-(2-oxopentan-3-yl)pyrazin-2-one
PubChem CID22969695
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name3-(2-methoxyethylamino)-1-(2-oxopentan-3-yl)pyrazin-2-one
SMILESCCC(C(C)=O)n1ccnc(NCCOC)c1=O
InChIInChI=1S/C12H19N3O3/c1-4-10(9(2)16)15-7-5-13-11(12(15)17)14-6-8-18-3/h5,7,10H,4,6,8H2,1-3H3,(H,13,14)
InChIKeyAXOLPEVPUUZBNM-UHFFFAOYSA-N
XLogP0.84
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.84
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

1-Propan-2-yl-3-[2-(2,2,2-trifluoroethoxy)ethylamino]pyrazin-2-one
CID 63828797
3-[2-(2,2-Difluoroethoxy)ethylamino]-1-propan-2-ylpyrazin-2-one
CID 114127782
3-(3-Methoxypropylamino)-1-(2-oxopentan-3-yl)pyrazin-2-one
CID 22969699
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
1-Methyl-3-(1-morpholin-4-ylpropan-2-ylamino)pyrazin-2-one
CID 55133101
3-(2-Ethoxyethylamino)-1-(2-methylpropyl)pyrazin-2-one
CID 55155452
3-(2-Butoxyethylamino)-1-propylpyrazin-2-one
CID 55155647
1-Ethyl-3-(1-morpholin-4-ylpropan-2-ylamino)pyrazin-2-one
CID 55155648
3-(1-Ethoxypropan-2-ylamino)-1-(2-methylpropyl)pyrazin-2-one
CID 55156807
3-[2-[2-Methoxyethyl(methyl)amino]ethylamino]-1-propylpyrazin-2-one
CID 55156809
3-[2-(2-Methoxyethoxy)ethylamino]-1-propan-2-ylpyrazin-2-one
CID 55156998

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethylamino)-1-(2-oxopentan-3-yl)pyrazin-2-one?
The IUPAC name of 3-(2-methoxyethylamino)-1-(2-oxopentan-3-yl)pyrazin-2-one (CID 22969695) is 3-(2-methoxyethylamino)-1-(2-oxopentan-3-yl)pyrazin-2-one.
What is the SMILES notation for 3-(2-methoxyethylamino)-1-(2-oxopentan-3-yl)pyrazin-2-one?
The canonical SMILES for 3-(2-methoxyethylamino)-1-(2-oxopentan-3-yl)pyrazin-2-one is CCC(C(C)=O)n1ccnc(NCCOC)c1=O.
What is the InChIKey of 3-(2-methoxyethylamino)-1-(2-oxopentan-3-yl)pyrazin-2-one?
The InChIKey is AXOLPEVPUUZBNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-4-10(9(2)16)15-7-5-13-11(12(15)17)14-6-8-18-3/h5,7,10H,4,6,8H2,1-3H3,(H,13,14).
What are the key properties of 3-(2-methoxyethylamino)-1-(2-oxopentan-3-yl)pyrazin-2-one?
3-(2-methoxyethylamino)-1-(2-oxopentan-3-yl)pyrazin-2-one has a molecular weight of 253.30 g/mol, XLogP of 0.84, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethylamino)-1-(2-oxopentan-3-yl)pyrazin-2-one is sourced from PubChem (CID 22969695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).