3-[2-(methylamino)ethoxy]-1-propan-2-ylpyrazin-2-one

C10H17N3O2 — CID 62927490

IUPAC3-[2-(methylamino)ethoxy]-1-propan-2-ylpyrazin-2-one
SMILESCNCCOc1nccn(C(C)C)c1=O
InChIInChI=1S/C10H17N3O2/c1-8(2)13-6-4-12-9(10(13)14)15-7-5-11-3/h4,6,8,11H,5,7H2,1-3H3
InChIKeyJWLLFAFSHOWTNA-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.42
Rot. Bonds5

About 3-[2-(methylamino)ethoxy]-1-propan-2-ylpyrazin-2-one

3-[2-(methylamino)ethoxy]-1-propan-2-ylpyrazin-2-one (PubChem CID 62927490) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 3-[2-(methylamino)ethoxy]-1-propan-2-ylpyrazin-2-one.

Molecular Properties

Compound Name3-[2-(methylamino)ethoxy]-1-propan-2-ylpyrazin-2-one
PubChem CID62927490
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name3-[2-(methylamino)ethoxy]-1-propan-2-ylpyrazin-2-one
SMILESCNCCOc1nccn(C(C)C)c1=O
InChIInChI=1S/C10H17N3O2/c1-8(2)13-6-4-12-9(10(13)14)15-7-5-11-3/h4,6,8,11H,5,7H2,1-3H3
InChIKeyJWLLFAFSHOWTNA-UHFFFAOYSA-N
XLogP0.42
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.42
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 3-[2-(methylamino)ethoxy]-1-propan-2-ylpyrazin-2-one?
The IUPAC name of 3-[2-(methylamino)ethoxy]-1-propan-2-ylpyrazin-2-one (CID 62927490) is 3-[2-(methylamino)ethoxy]-1-propan-2-ylpyrazin-2-one.
What is the SMILES notation for 3-[2-(methylamino)ethoxy]-1-propan-2-ylpyrazin-2-one?
The canonical SMILES for 3-[2-(methylamino)ethoxy]-1-propan-2-ylpyrazin-2-one is CNCCOc1nccn(C(C)C)c1=O.
What is the InChIKey of 3-[2-(methylamino)ethoxy]-1-propan-2-ylpyrazin-2-one?
The InChIKey is JWLLFAFSHOWTNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-8(2)13-6-4-12-9(10(13)14)15-7-5-11-3/h4,6,8,11H,5,7H2,1-3H3.
What are the key properties of 3-[2-(methylamino)ethoxy]-1-propan-2-ylpyrazin-2-one?
3-[2-(methylamino)ethoxy]-1-propan-2-ylpyrazin-2-one has a molecular weight of 211.26 g/mol, XLogP of 0.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(methylamino)ethoxy]-1-propan-2-ylpyrazin-2-one is sourced from PubChem (CID 62927490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).