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

C9H15N3O2 — CID 62927491

IUPAC1-ethyl-3-[2-(methylamino)ethoxy]pyrazin-2-one
SMILESCCn1ccnc(OCCNC)c1=O
InChIInChI=1S/C9H15N3O2/c1-3-12-6-4-11-8(9(12)13)14-7-5-10-2/h4,6,10H,3,5,7H2,1-2H3
InChIKeyUYPOYIYJFRABGY-UHFFFAOYSA-N
MW197.24 g/mol
LogP-0.14
Rot. Bonds5

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

1-ethyl-3-[2-(methylamino)ethoxy]pyrazin-2-one (PubChem CID 62927491) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 1-ethyl-3-[2-(methylamino)ethoxy]pyrazin-2-one.

Molecular Properties

Compound Name1-ethyl-3-[2-(methylamino)ethoxy]pyrazin-2-one
PubChem CID62927491
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name1-ethyl-3-[2-(methylamino)ethoxy]pyrazin-2-one
SMILESCCn1ccnc(OCCNC)c1=O
InChIInChI=1S/C9H15N3O2/c1-3-12-6-4-11-8(9(12)13)14-7-5-10-2/h4,6,10H,3,5,7H2,1-2H3
InChIKeyUYPOYIYJFRABGY-UHFFFAOYSA-N
XLogP-0.14
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-0.14
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-ethyl-3-[2-(methylamino)ethoxy]pyrazin-2-one?
The IUPAC name of 1-ethyl-3-[2-(methylamino)ethoxy]pyrazin-2-one (CID 62927491) is 1-ethyl-3-[2-(methylamino)ethoxy]pyrazin-2-one.
What is the SMILES notation for 1-ethyl-3-[2-(methylamino)ethoxy]pyrazin-2-one?
The canonical SMILES for 1-ethyl-3-[2-(methylamino)ethoxy]pyrazin-2-one is CCn1ccnc(OCCNC)c1=O.
What is the InChIKey of 1-ethyl-3-[2-(methylamino)ethoxy]pyrazin-2-one?
The InChIKey is UYPOYIYJFRABGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-3-12-6-4-11-8(9(12)13)14-7-5-10-2/h4,6,10H,3,5,7H2,1-2H3.
What are the key properties of 1-ethyl-3-[2-(methylamino)ethoxy]pyrazin-2-one?
1-ethyl-3-[2-(methylamino)ethoxy]pyrazin-2-one has a molecular weight of 197.24 g/mol, XLogP of -0.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[2-(methylamino)ethoxy]pyrazin-2-one is sourced from PubChem (CID 62927491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).