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

C13H24N4O2 — CID 55154901

IUPAC1-[2-[2-(diethylamino)ethylamino]ethyl]-4-methylpyrazine-2,3-dione
SMILESCCN(CC)CCNCCn1ccn(C)c(=O)c1=O
InChIInChI=1S/C13H24N4O2/c1-4-16(5-2)8-6-14-7-9-17-11-10-15(3)12(18)13(17)19/h10-11,14H,4-9H2,1-3H3
InChIKeyQQLWSYRXHOWWGD-UHFFFAOYSA-N
MW268.36 g/mol
LogP-0.52
Rot. Bonds8

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

1-[2-[2-(diethylamino)ethylamino]ethyl]-4-methylpyrazine-2,3-dione (PubChem CID 55154901) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-[2-[2-(diethylamino)ethylamino]ethyl]-4-methylpyrazine-2,3-dione.

Molecular Properties

Compound Name1-[2-[2-(diethylamino)ethylamino]ethyl]-4-methylpyrazine-2,3-dione
PubChem CID55154901
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC Name1-[2-[2-(diethylamino)ethylamino]ethyl]-4-methylpyrazine-2,3-dione
SMILESCCN(CC)CCNCCn1ccn(C)c(=O)c1=O
InChIInChI=1S/C13H24N4O2/c1-4-16(5-2)8-6-14-7-9-17-11-10-15(3)12(18)13(17)19/h10-11,14H,4-9H2,1-3H3
InChIKeyQQLWSYRXHOWWGD-UHFFFAOYSA-N
XLogP-0.52
TPSA59.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 5-0.52
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-[2-(diethylamino)ethylamino]ethyl]-4-methylpyrazine-2,3-dione?
The IUPAC name of 1-[2-[2-(diethylamino)ethylamino]ethyl]-4-methylpyrazine-2,3-dione (CID 55154901) is 1-[2-[2-(diethylamino)ethylamino]ethyl]-4-methylpyrazine-2,3-dione.
What is the SMILES notation for 1-[2-[2-(diethylamino)ethylamino]ethyl]-4-methylpyrazine-2,3-dione?
The canonical SMILES for 1-[2-[2-(diethylamino)ethylamino]ethyl]-4-methylpyrazine-2,3-dione is CCN(CC)CCNCCn1ccn(C)c(=O)c1=O.
What is the InChIKey of 1-[2-[2-(diethylamino)ethylamino]ethyl]-4-methylpyrazine-2,3-dione?
The InChIKey is QQLWSYRXHOWWGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-4-16(5-2)8-6-14-7-9-17-11-10-15(3)12(18)13(17)19/h10-11,14H,4-9H2,1-3H3.
What are the key properties of 1-[2-[2-(diethylamino)ethylamino]ethyl]-4-methylpyrazine-2,3-dione?
1-[2-[2-(diethylamino)ethylamino]ethyl]-4-methylpyrazine-2,3-dione has a molecular weight of 268.36 g/mol, XLogP of -0.52, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(diethylamino)ethylamino]ethyl]-4-methylpyrazine-2,3-dione is sourced from PubChem (CID 55154901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).