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

C11H19N3O2 — CID 62927322

IUPAC1-ethyl-3-[2-(propan-2-ylamino)ethoxy]pyrazin-2-one
SMILESCCn1ccnc(OCCNC(C)C)c1=O
InChIInChI=1S/C11H19N3O2/c1-4-14-7-5-13-10(11(14)15)16-8-6-12-9(2)3/h5,7,9,12H,4,6,8H2,1-3H3
InChIKeyAMJLJKPQIWTGGI-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.64
Rot. Bonds6

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

1-ethyl-3-[2-(propan-2-ylamino)ethoxy]pyrazin-2-one (PubChem CID 62927322) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 1-ethyl-3-[2-(propan-2-ylamino)ethoxy]pyrazin-2-one.

Molecular Properties

Compound Name1-ethyl-3-[2-(propan-2-ylamino)ethoxy]pyrazin-2-one
PubChem CID62927322
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name1-ethyl-3-[2-(propan-2-ylamino)ethoxy]pyrazin-2-one
SMILESCCn1ccnc(OCCNC(C)C)c1=O
InChIInChI=1S/C11H19N3O2/c1-4-14-7-5-13-10(11(14)15)16-8-6-12-9(2)3/h5,7,9,12H,4,6,8H2,1-3H3
InChIKeyAMJLJKPQIWTGGI-UHFFFAOYSA-N
XLogP0.64
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.64
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-(propan-2-ylamino)ethoxy]pyrazin-2-one?
The IUPAC name of 1-ethyl-3-[2-(propan-2-ylamino)ethoxy]pyrazin-2-one (CID 62927322) is 1-ethyl-3-[2-(propan-2-ylamino)ethoxy]pyrazin-2-one.
What is the SMILES notation for 1-ethyl-3-[2-(propan-2-ylamino)ethoxy]pyrazin-2-one?
The canonical SMILES for 1-ethyl-3-[2-(propan-2-ylamino)ethoxy]pyrazin-2-one is CCn1ccnc(OCCNC(C)C)c1=O.
What is the InChIKey of 1-ethyl-3-[2-(propan-2-ylamino)ethoxy]pyrazin-2-one?
The InChIKey is AMJLJKPQIWTGGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-4-14-7-5-13-10(11(14)15)16-8-6-12-9(2)3/h5,7,9,12H,4,6,8H2,1-3H3.
What are the key properties of 1-ethyl-3-[2-(propan-2-ylamino)ethoxy]pyrazin-2-one?
1-ethyl-3-[2-(propan-2-ylamino)ethoxy]pyrazin-2-one has a molecular weight of 225.29 g/mol, XLogP of 0.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[2-(propan-2-ylamino)ethoxy]pyrazin-2-one is sourced from PubChem (CID 62927322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).