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

C11H19N3O2 — CID 62927374

IUPAC1-[2-(butan-2-ylamino)ethyl]-4-methylpyrazine-2,3-dione
SMILESCCC(C)NCCn1ccn(C)c(=O)c1=O
InChIInChI=1S/C11H19N3O2/c1-4-9(2)12-5-6-14-8-7-13(3)10(15)11(14)16/h7-9,12H,4-6H2,1-3H3
InChIKeyLILZMOCUKDXTEW-UHFFFAOYSA-N
MW225.29 g/mol
LogP-0.06
Rot. Bonds5

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

1-[2-(butan-2-ylamino)ethyl]-4-methylpyrazine-2,3-dione (PubChem CID 62927374) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 1-[2-(butan-2-ylamino)ethyl]-4-methylpyrazine-2,3-dione.

Molecular Properties

Compound Name1-[2-(butan-2-ylamino)ethyl]-4-methylpyrazine-2,3-dione
PubChem CID62927374
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name1-[2-(butan-2-ylamino)ethyl]-4-methylpyrazine-2,3-dione
SMILESCCC(C)NCCn1ccn(C)c(=O)c1=O
InChIInChI=1S/C11H19N3O2/c1-4-9(2)12-5-6-14-8-7-13(3)10(15)11(14)16/h7-9,12H,4-6H2,1-3H3
InChIKeyLILZMOCUKDXTEW-UHFFFAOYSA-N
XLogP-0.06
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(butan-2-ylamino)ethyl]-4-methylpyrazine-2,3-dione?
The IUPAC name of 1-[2-(butan-2-ylamino)ethyl]-4-methylpyrazine-2,3-dione (CID 62927374) is 1-[2-(butan-2-ylamino)ethyl]-4-methylpyrazine-2,3-dione.
What is the SMILES notation for 1-[2-(butan-2-ylamino)ethyl]-4-methylpyrazine-2,3-dione?
The canonical SMILES for 1-[2-(butan-2-ylamino)ethyl]-4-methylpyrazine-2,3-dione is CCC(C)NCCn1ccn(C)c(=O)c1=O.
What is the InChIKey of 1-[2-(butan-2-ylamino)ethyl]-4-methylpyrazine-2,3-dione?
The InChIKey is LILZMOCUKDXTEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-4-9(2)12-5-6-14-8-7-13(3)10(15)11(14)16/h7-9,12H,4-6H2,1-3H3.
What are the key properties of 1-[2-(butan-2-ylamino)ethyl]-4-methylpyrazine-2,3-dione?
1-[2-(butan-2-ylamino)ethyl]-4-methylpyrazine-2,3-dione has a molecular weight of 225.29 g/mol, XLogP of -0.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(butan-2-ylamino)ethyl]-4-methylpyrazine-2,3-dione is sourced from PubChem (CID 62927374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).