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

C9H15N3O2 — CID 89031015

IUPAC1-[2-(dimethylamino)ethyl]-4-methylpyrazine-2,3-dione
SMILESCN(C)CCn1ccn(C)c(=O)c1=O
InChIInChI=1S/C9H15N3O2/c1-10(2)4-6-12-7-5-11(3)8(13)9(12)14/h5,7H,4,6H2,1-3H3
InChIKeyFBUQMAMJDKGUAE-UHFFFAOYSA-N
MW197.24 g/mol
LogP-0.89
Rot. Bonds3

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

1-[2-(dimethylamino)ethyl]-4-methylpyrazine-2,3-dione (PubChem CID 89031015) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-4-methylpyrazine-2,3-dione.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-4-methylpyrazine-2,3-dione
PubChem CID89031015
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name1-[2-(dimethylamino)ethyl]-4-methylpyrazine-2,3-dione
SMILESCN(C)CCn1ccn(C)c(=O)c1=O
InChIInChI=1S/C9H15N3O2/c1-10(2)4-6-12-7-5-11(3)8(13)9(12)14/h5,7H,4,6H2,1-3H3
InChIKeyFBUQMAMJDKGUAE-UHFFFAOYSA-N
XLogP-0.89
TPSA47.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-0.89
H-Bond Donors ≤ 50
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-(dimethylamino)ethyl]-4-methylpyrazine-2,3-dione?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-4-methylpyrazine-2,3-dione (CID 89031015) is 1-[2-(dimethylamino)ethyl]-4-methylpyrazine-2,3-dione.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-4-methylpyrazine-2,3-dione?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-4-methylpyrazine-2,3-dione is CN(C)CCn1ccn(C)c(=O)c1=O.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-4-methylpyrazine-2,3-dione?
The InChIKey is FBUQMAMJDKGUAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-10(2)4-6-12-7-5-11(3)8(13)9(12)14/h5,7H,4,6H2,1-3H3.
What are the key properties of 1-[2-(dimethylamino)ethyl]-4-methylpyrazine-2,3-dione?
1-[2-(dimethylamino)ethyl]-4-methylpyrazine-2,3-dione has a molecular weight of 197.24 g/mol, XLogP of -0.89, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-4-methylpyrazine-2,3-dione is sourced from PubChem (CID 89031015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).