1-(2-aminopropyl)-4-methylpyrazine-2,3-dione

C8H13N3O2 — CID 62928561

IUPAC1-(2-aminopropyl)-4-methylpyrazine-2,3-dione
SMILESCC(N)Cn1ccn(C)c(=O)c1=O
InChIInChI=1S/C8H13N3O2/c1-6(9)5-11-4-3-10(2)7(12)8(11)13/h3-4,6H,5,9H2,1-2H3
InChIKeyHZAAUQAVKDGAKH-UHFFFAOYSA-N
MW183.21 g/mol
LogP-1.11
Rot. Bonds2

About 1-(2-aminopropyl)-4-methylpyrazine-2,3-dione

1-(2-aminopropyl)-4-methylpyrazine-2,3-dione (PubChem CID 62928561) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 1-(2-aminopropyl)-4-methylpyrazine-2,3-dione.

Molecular Properties

Compound Name1-(2-aminopropyl)-4-methylpyrazine-2,3-dione
PubChem CID62928561
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name1-(2-aminopropyl)-4-methylpyrazine-2,3-dione
SMILESCC(N)Cn1ccn(C)c(=O)c1=O
InChIInChI=1S/C8H13N3O2/c1-6(9)5-11-4-3-10(2)7(12)8(11)13/h3-4,6H,5,9H2,1-2H3
InChIKeyHZAAUQAVKDGAKH-UHFFFAOYSA-N
XLogP-1.11
TPSA70.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-1.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[(2S)-2-aminopropyl]-3-methylimidazol-2-one
CID 103934874
1-[(2R)-2-hydroxypropyl]-4-methylpyrazine-2,3-dione
CID 103935365
methyl 2-acetamido-3-(4-methyl-2,3-dioxopyrazin-1-yl)propanoate
CID 65444218
1-[3-methoxy-2-(methylamino)propyl]-4-methylpyrazine-2,3-dione
CID 107506199
1-[2-(2-aminophenyl)ethyl]-4-methylpyrazine-2,3-dione
CID 62927852
2-[(2S)-2-aminopropyl]isoquinolin-1-one
CID 103934884
1-(5-aminohexyl)-3-methylimidazol-2-one
CID 80580709
1-[2-(ethylamino)-2-(4-methylphenyl)ethyl]-4-methylpyrazine-2,3-dione
CID 62929078
1-methyl-4-[4-(2-methylpropylamino)butyl]pyrazine-2,3-dione
CID 55155095
5-(2-aminopropyl)-2-methylpyrazolo[1,5-a]pyrazin-4-one
CID 104734809
1-[2-cyclopentyl-2-(ethylamino)ethyl]-4-methylpyrazine-2,3-dione
CID 104747580
1-(9-bromononyl)-4-methylpyrazine-2,3-dione
CID 105343121

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminopropyl)-4-methylpyrazine-2,3-dione?
The IUPAC name of 1-(2-aminopropyl)-4-methylpyrazine-2,3-dione (CID 62928561) is 1-(2-aminopropyl)-4-methylpyrazine-2,3-dione.
What is the SMILES notation for 1-(2-aminopropyl)-4-methylpyrazine-2,3-dione?
The canonical SMILES for 1-(2-aminopropyl)-4-methylpyrazine-2,3-dione is CC(N)Cn1ccn(C)c(=O)c1=O.
What is the InChIKey of 1-(2-aminopropyl)-4-methylpyrazine-2,3-dione?
The InChIKey is HZAAUQAVKDGAKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-6(9)5-11-4-3-10(2)7(12)8(11)13/h3-4,6H,5,9H2,1-2H3.
What are the key properties of 1-(2-aminopropyl)-4-methylpyrazine-2,3-dione?
1-(2-aminopropyl)-4-methylpyrazine-2,3-dione has a molecular weight of 183.21 g/mol, XLogP of -1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminopropyl)-4-methylpyrazine-2,3-dione is sourced from PubChem (CID 62928561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).