1-ethyl-3-(4-methoxybutylamino)pyrazin-2-one

C11H19N3O2 — CID 62928796

IUPAC1-ethyl-3-(4-methoxybutylamino)pyrazin-2-one
SMILESCCn1ccnc(NCCCCOC)c1=O
InChIInChI=1S/C11H19N3O2/c1-3-14-8-7-13-10(11(14)15)12-6-4-5-9-16-2/h7-8H,3-6,9H2,1-2H3,(H,12,13)
InChIKeySWUMEISSNGFAQU-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.10
Rot. Bonds7

About 1-ethyl-3-(4-methoxybutylamino)pyrazin-2-one

1-ethyl-3-(4-methoxybutylamino)pyrazin-2-one (PubChem CID 62928796) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 1-ethyl-3-(4-methoxybutylamino)pyrazin-2-one.

Molecular Properties

Compound Name1-ethyl-3-(4-methoxybutylamino)pyrazin-2-one
PubChem CID62928796
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name1-ethyl-3-(4-methoxybutylamino)pyrazin-2-one
SMILESCCn1ccnc(NCCCCOC)c1=O
InChIInChI=1S/C11H19N3O2/c1-3-14-8-7-13-10(11(14)15)12-6-4-5-9-16-2/h7-8H,3-6,9H2,1-2H3,(H,12,13)
InChIKeySWUMEISSNGFAQU-UHFFFAOYSA-N
XLogP1.10
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-ethyl-3-(4-methoxybutylamino)pyrazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(4-methoxybutylamino)pyrazin-2-one?
The IUPAC name of 1-ethyl-3-(4-methoxybutylamino)pyrazin-2-one (CID 62928796) is 1-ethyl-3-(4-methoxybutylamino)pyrazin-2-one.
What is the SMILES notation for 1-ethyl-3-(4-methoxybutylamino)pyrazin-2-one?
The canonical SMILES for 1-ethyl-3-(4-methoxybutylamino)pyrazin-2-one is CCn1ccnc(NCCCCOC)c1=O.
What is the InChIKey of 1-ethyl-3-(4-methoxybutylamino)pyrazin-2-one?
The InChIKey is SWUMEISSNGFAQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-3-14-8-7-13-10(11(14)15)12-6-4-5-9-16-2/h7-8H,3-6,9H2,1-2H3,(H,12,13).
What are the key properties of 1-ethyl-3-(4-methoxybutylamino)pyrazin-2-one?
1-ethyl-3-(4-methoxybutylamino)pyrazin-2-one has a molecular weight of 225.29 g/mol, XLogP of 1.10, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(4-methoxybutylamino)pyrazin-2-one is sourced from PubChem (CID 62928796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).