1-[3,3-dimethyl-2-(methylamino)butyl]-4-methylpyrazine-2,3-dione

C12H21N3O2 — CID 62927690

IUPAC1-[3,3-dimethyl-2-(methylamino)butyl]-4-methylpyrazine-2,3-dione
SMILESCNC(Cn1ccn(C)c(=O)c1=O)C(C)(C)C
InChIInChI=1S/C12H21N3O2/c1-12(2,3)9(13-4)8-15-7-6-14(5)10(16)11(15)17/h6-7,9,13H,8H2,1-5H3
InChIKeyJXTGBLUOLRCAHW-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.18
Rot. Bonds3

About 1-[3,3-dimethyl-2-(methylamino)butyl]-4-methylpyrazine-2,3-dione

1-[3,3-dimethyl-2-(methylamino)butyl]-4-methylpyrazine-2,3-dione (PubChem CID 62927690) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 1-[3,3-dimethyl-2-(methylamino)butyl]-4-methylpyrazine-2,3-dione.

Molecular Properties

Compound Name1-[3,3-dimethyl-2-(methylamino)butyl]-4-methylpyrazine-2,3-dione
PubChem CID62927690
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name1-[3,3-dimethyl-2-(methylamino)butyl]-4-methylpyrazine-2,3-dione
SMILESCNC(Cn1ccn(C)c(=O)c1=O)C(C)(C)C
InChIInChI=1S/C12H21N3O2/c1-12(2,3)9(13-4)8-15-7-6-14(5)10(16)11(15)17/h6-7,9,13H,8H2,1-5H3
InChIKeyJXTGBLUOLRCAHW-UHFFFAOYSA-N
XLogP0.18
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.18
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-[3,3-dimethyl-2-(methylamino)butyl]-4-methylpyrazine-2,3-dione?
The IUPAC name of 1-[3,3-dimethyl-2-(methylamino)butyl]-4-methylpyrazine-2,3-dione (CID 62927690) is 1-[3,3-dimethyl-2-(methylamino)butyl]-4-methylpyrazine-2,3-dione.
What is the SMILES notation for 1-[3,3-dimethyl-2-(methylamino)butyl]-4-methylpyrazine-2,3-dione?
The canonical SMILES for 1-[3,3-dimethyl-2-(methylamino)butyl]-4-methylpyrazine-2,3-dione is CNC(Cn1ccn(C)c(=O)c1=O)C(C)(C)C.
What is the InChIKey of 1-[3,3-dimethyl-2-(methylamino)butyl]-4-methylpyrazine-2,3-dione?
The InChIKey is JXTGBLUOLRCAHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-12(2,3)9(13-4)8-15-7-6-14(5)10(16)11(15)17/h6-7,9,13H,8H2,1-5H3.
What are the key properties of 1-[3,3-dimethyl-2-(methylamino)butyl]-4-methylpyrazine-2,3-dione?
1-[3,3-dimethyl-2-(methylamino)butyl]-4-methylpyrazine-2,3-dione has a molecular weight of 239.32 g/mol, XLogP of 0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,3-dimethyl-2-(methylamino)butyl]-4-methylpyrazine-2,3-dione is sourced from PubChem (CID 62927690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).