1-methyl-4-[2-(methylamino)propyl]pyrazine-2,3-dione

C9H15N3O2 — CID 62928906

IUPAC1-methyl-4-[2-(methylamino)propyl]pyrazine-2,3-dione
SMILESCNC(C)Cn1ccn(C)c(=O)c1=O
InChIInChI=1S/C9H15N3O2/c1-7(10-2)6-12-5-4-11(3)8(13)9(12)14/h4-5,7,10H,6H2,1-3H3
InChIKeyUTGNLGYHXBVXKY-UHFFFAOYSA-N
MW197.24 g/mol
LogP-0.85
Rot. Bonds3

About 1-methyl-4-[2-(methylamino)propyl]pyrazine-2,3-dione

1-methyl-4-[2-(methylamino)propyl]pyrazine-2,3-dione (PubChem CID 62928906) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 1-methyl-4-[2-(methylamino)propyl]pyrazine-2,3-dione.

Molecular Properties

Compound Name1-methyl-4-[2-(methylamino)propyl]pyrazine-2,3-dione
PubChem CID62928906
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name1-methyl-4-[2-(methylamino)propyl]pyrazine-2,3-dione
SMILESCNC(C)Cn1ccn(C)c(=O)c1=O
InChIInChI=1S/C9H15N3O2/c1-7(10-2)6-12-5-4-11(3)8(13)9(12)14/h4-5,7,10H,6H2,1-3H3
InChIKeyUTGNLGYHXBVXKY-UHFFFAOYSA-N
XLogP-0.85
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-0.85
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-methyl-4-[2-(methylamino)propyl]pyrazine-2,3-dione?
The IUPAC name of 1-methyl-4-[2-(methylamino)propyl]pyrazine-2,3-dione (CID 62928906) is 1-methyl-4-[2-(methylamino)propyl]pyrazine-2,3-dione.
What is the SMILES notation for 1-methyl-4-[2-(methylamino)propyl]pyrazine-2,3-dione?
The canonical SMILES for 1-methyl-4-[2-(methylamino)propyl]pyrazine-2,3-dione is CNC(C)Cn1ccn(C)c(=O)c1=O.
What is the InChIKey of 1-methyl-4-[2-(methylamino)propyl]pyrazine-2,3-dione?
The InChIKey is UTGNLGYHXBVXKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-7(10-2)6-12-5-4-11(3)8(13)9(12)14/h4-5,7,10H,6H2,1-3H3.
What are the key properties of 1-methyl-4-[2-(methylamino)propyl]pyrazine-2,3-dione?
1-methyl-4-[2-(methylamino)propyl]pyrazine-2,3-dione has a molecular weight of 197.24 g/mol, XLogP of -0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[2-(methylamino)propyl]pyrazine-2,3-dione is sourced from PubChem (CID 62928906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).