1-[2-(3-ethoxypropylamino)ethyl]-4-methylpyrazine-2,3-dione

C12H21N3O3 — CID 62929095

IUPAC1-[2-(3-ethoxypropylamino)ethyl]-4-methylpyrazine-2,3-dione
SMILESCCOCCCNCCn1ccn(C)c(=O)c1=O
InChIInChI=1S/C12H21N3O3/c1-3-18-10-4-5-13-6-7-15-9-8-14(2)11(16)12(15)17/h8-9,13H,3-7,10H2,1-2H3
InChIKeyPROGNFVEZIJQGA-UHFFFAOYSA-N
MW255.32 g/mol
LogP-0.44
Rot. Bonds8

About 1-[2-(3-ethoxypropylamino)ethyl]-4-methylpyrazine-2,3-dione

1-[2-(3-ethoxypropylamino)ethyl]-4-methylpyrazine-2,3-dione (PubChem CID 62929095) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is 1-[2-(3-ethoxypropylamino)ethyl]-4-methylpyrazine-2,3-dione.

Molecular Properties

Compound Name1-[2-(3-ethoxypropylamino)ethyl]-4-methylpyrazine-2,3-dione
PubChem CID62929095
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC Name1-[2-(3-ethoxypropylamino)ethyl]-4-methylpyrazine-2,3-dione
SMILESCCOCCCNCCn1ccn(C)c(=O)c1=O
InChIInChI=1S/C12H21N3O3/c1-3-18-10-4-5-13-6-7-15-9-8-14(2)11(16)12(15)17/h8-9,13H,3-7,10H2,1-2H3
InChIKeyPROGNFVEZIJQGA-UHFFFAOYSA-N
XLogP-0.44
TPSA65.26 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 ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-ethoxypropylamino)ethyl]-4-methylpyrazine-2,3-dione?
The IUPAC name of 1-[2-(3-ethoxypropylamino)ethyl]-4-methylpyrazine-2,3-dione (CID 62929095) is 1-[2-(3-ethoxypropylamino)ethyl]-4-methylpyrazine-2,3-dione.
What is the SMILES notation for 1-[2-(3-ethoxypropylamino)ethyl]-4-methylpyrazine-2,3-dione?
The canonical SMILES for 1-[2-(3-ethoxypropylamino)ethyl]-4-methylpyrazine-2,3-dione is CCOCCCNCCn1ccn(C)c(=O)c1=O.
What is the InChIKey of 1-[2-(3-ethoxypropylamino)ethyl]-4-methylpyrazine-2,3-dione?
The InChIKey is PROGNFVEZIJQGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c1-3-18-10-4-5-13-6-7-15-9-8-14(2)11(16)12(15)17/h8-9,13H,3-7,10H2,1-2H3.
What are the key properties of 1-[2-(3-ethoxypropylamino)ethyl]-4-methylpyrazine-2,3-dione?
1-[2-(3-ethoxypropylamino)ethyl]-4-methylpyrazine-2,3-dione has a molecular weight of 255.32 g/mol, XLogP of -0.44, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-ethoxypropylamino)ethyl]-4-methylpyrazine-2,3-dione is sourced from PubChem (CID 62929095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).