3-[2-(2-methoxyethoxy)ethylamino]-1-propan-2-ylpyrazin-2-one

C12H21N3O3 — CID 55156998

IUPAC3-[2-(2-methoxyethoxy)ethylamino]-1-propan-2-ylpyrazin-2-one
SMILESCOCCOCCNc1nccn(C(C)C)c1=O
InChIInChI=1S/C12H21N3O3/c1-10(2)15-6-4-13-11(12(15)16)14-5-7-18-9-8-17-3/h4,6,10H,5,7-9H2,1-3H3,(H,13,14)
InChIKeyOTUNZPNPYTYYSU-UHFFFAOYSA-N
MW255.32 g/mol
LogP0.90
Rot. Bonds8

About 3-[2-(2-methoxyethoxy)ethylamino]-1-propan-2-ylpyrazin-2-one

3-[2-(2-methoxyethoxy)ethylamino]-1-propan-2-ylpyrazin-2-one (PubChem CID 55156998) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is 3-[2-(2-methoxyethoxy)ethylamino]-1-propan-2-ylpyrazin-2-one.

Molecular Properties

Compound Name3-[2-(2-methoxyethoxy)ethylamino]-1-propan-2-ylpyrazin-2-one
PubChem CID55156998
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC Name3-[2-(2-methoxyethoxy)ethylamino]-1-propan-2-ylpyrazin-2-one
SMILESCOCCOCCNc1nccn(C(C)C)c1=O
InChIInChI=1S/C12H21N3O3/c1-10(2)15-6-4-13-11(12(15)16)14-5-7-18-9-8-17-3/h4,6,10H,5,7-9H2,1-3H3,(H,13,14)
InChIKeyOTUNZPNPYTYYSU-UHFFFAOYSA-N
XLogP0.90
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(2-methoxyethoxy)ethylamino]-1-propan-2-ylpyrazin-2-one?
The IUPAC name of 3-[2-(2-methoxyethoxy)ethylamino]-1-propan-2-ylpyrazin-2-one (CID 55156998) is 3-[2-(2-methoxyethoxy)ethylamino]-1-propan-2-ylpyrazin-2-one.
What is the SMILES notation for 3-[2-(2-methoxyethoxy)ethylamino]-1-propan-2-ylpyrazin-2-one?
The canonical SMILES for 3-[2-(2-methoxyethoxy)ethylamino]-1-propan-2-ylpyrazin-2-one is COCCOCCNc1nccn(C(C)C)c1=O.
What is the InChIKey of 3-[2-(2-methoxyethoxy)ethylamino]-1-propan-2-ylpyrazin-2-one?
The InChIKey is OTUNZPNPYTYYSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c1-10(2)15-6-4-13-11(12(15)16)14-5-7-18-9-8-17-3/h4,6,10H,5,7-9H2,1-3H3,(H,13,14).
What are the key properties of 3-[2-(2-methoxyethoxy)ethylamino]-1-propan-2-ylpyrazin-2-one?
3-[2-(2-methoxyethoxy)ethylamino]-1-propan-2-ylpyrazin-2-one has a molecular weight of 255.32 g/mol, XLogP of 0.90, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methoxyethoxy)ethylamino]-1-propan-2-ylpyrazin-2-one is sourced from PubChem (CID 55156998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).