1-[2-(1-methoxypropan-2-ylamino)ethyl]-4-methylpyrazine-2,3-dione

C11H19N3O3 — CID 55155668

IUPAC1-[2-(1-methoxypropan-2-ylamino)ethyl]-4-methylpyrazine-2,3-dione
SMILESCOCC(C)NCCn1ccn(C)c(=O)c1=O
InChIInChI=1S/C11H19N3O3/c1-9(8-17-3)12-4-5-14-7-6-13(2)10(15)11(14)16/h6-7,9,12H,4-5,8H2,1-3H3
InChIKeyVTKMAZGOSSKXMQ-UHFFFAOYSA-N
MW241.29 g/mol
LogP-0.83
Rot. Bonds6

About 1-[2-(1-methoxypropan-2-ylamino)ethyl]-4-methylpyrazine-2,3-dione

1-[2-(1-methoxypropan-2-ylamino)ethyl]-4-methylpyrazine-2,3-dione (PubChem CID 55155668) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is 1-[2-(1-methoxypropan-2-ylamino)ethyl]-4-methylpyrazine-2,3-dione.

Molecular Properties

Compound Name1-[2-(1-methoxypropan-2-ylamino)ethyl]-4-methylpyrazine-2,3-dione
PubChem CID55155668
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name1-[2-(1-methoxypropan-2-ylamino)ethyl]-4-methylpyrazine-2,3-dione
SMILESCOCC(C)NCCn1ccn(C)c(=O)c1=O
InChIInChI=1S/C11H19N3O3/c1-9(8-17-3)12-4-5-14-7-6-13(2)10(15)11(14)16/h6-7,9,12H,4-5,8H2,1-3H3
InChIKeyVTKMAZGOSSKXMQ-UHFFFAOYSA-N
XLogP-0.83
TPSA65.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 5-0.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methoxypropan-2-ylamino)ethyl]-4-methylpyrazine-2,3-dione?
The IUPAC name of 1-[2-(1-methoxypropan-2-ylamino)ethyl]-4-methylpyrazine-2,3-dione (CID 55155668) is 1-[2-(1-methoxypropan-2-ylamino)ethyl]-4-methylpyrazine-2,3-dione.
What is the SMILES notation for 1-[2-(1-methoxypropan-2-ylamino)ethyl]-4-methylpyrazine-2,3-dione?
The canonical SMILES for 1-[2-(1-methoxypropan-2-ylamino)ethyl]-4-methylpyrazine-2,3-dione is COCC(C)NCCn1ccn(C)c(=O)c1=O.
What is the InChIKey of 1-[2-(1-methoxypropan-2-ylamino)ethyl]-4-methylpyrazine-2,3-dione?
The InChIKey is VTKMAZGOSSKXMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-9(8-17-3)12-4-5-14-7-6-13(2)10(15)11(14)16/h6-7,9,12H,4-5,8H2,1-3H3.
What are the key properties of 1-[2-(1-methoxypropan-2-ylamino)ethyl]-4-methylpyrazine-2,3-dione?
1-[2-(1-methoxypropan-2-ylamino)ethyl]-4-methylpyrazine-2,3-dione has a molecular weight of 241.29 g/mol, XLogP of -0.83, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methoxypropan-2-ylamino)ethyl]-4-methylpyrazine-2,3-dione is sourced from PubChem (CID 55155668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).