1-methyl-3-[2-(methylamino)ethoxy]pyrazin-2-one

C8H13N3O2 — CID 62940277

IUPAC1-methyl-3-[2-(methylamino)ethoxy]pyrazin-2-one
SMILESCNCCOc1nccn(C)c1=O
InChIInChI=1S/C8H13N3O2/c1-9-4-6-13-7-8(12)11(2)5-3-10-7/h3,5,9H,4,6H2,1-2H3
InChIKeyAUHHNJIUENKJJE-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.62
Rot. Bonds4

About 1-methyl-3-[2-(methylamino)ethoxy]pyrazin-2-one

1-methyl-3-[2-(methylamino)ethoxy]pyrazin-2-one (PubChem CID 62940277) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 1-methyl-3-[2-(methylamino)ethoxy]pyrazin-2-one.

Molecular Properties

Compound Name1-methyl-3-[2-(methylamino)ethoxy]pyrazin-2-one
PubChem CID62940277
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name1-methyl-3-[2-(methylamino)ethoxy]pyrazin-2-one
SMILESCNCCOc1nccn(C)c1=O
InChIInChI=1S/C8H13N3O2/c1-9-4-6-13-7-8(12)11(2)5-3-10-7/h3,5,9H,4,6H2,1-2H3
InChIKeyAUHHNJIUENKJJE-UHFFFAOYSA-N
XLogP-0.62
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[2-(methylamino)ethoxy]pyrazin-2-one?
The IUPAC name of 1-methyl-3-[2-(methylamino)ethoxy]pyrazin-2-one (CID 62940277) is 1-methyl-3-[2-(methylamino)ethoxy]pyrazin-2-one.
What is the SMILES notation for 1-methyl-3-[2-(methylamino)ethoxy]pyrazin-2-one?
The canonical SMILES for 1-methyl-3-[2-(methylamino)ethoxy]pyrazin-2-one is CNCCOc1nccn(C)c1=O.
What is the InChIKey of 1-methyl-3-[2-(methylamino)ethoxy]pyrazin-2-one?
The InChIKey is AUHHNJIUENKJJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-9-4-6-13-7-8(12)11(2)5-3-10-7/h3,5,9H,4,6H2,1-2H3.
What are the key properties of 1-methyl-3-[2-(methylamino)ethoxy]pyrazin-2-one?
1-methyl-3-[2-(methylamino)ethoxy]pyrazin-2-one has a molecular weight of 183.21 g/mol, XLogP of -0.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[2-(methylamino)ethoxy]pyrazin-2-one is sourced from PubChem (CID 62940277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).