1-[3-methoxy-2-(methylamino)propyl]-4-methylpyrazine-2,3-dione

C10H17N3O3 — CID 107506199

IUPAC1-[3-methoxy-2-(methylamino)propyl]-4-methylpyrazine-2,3-dione
SMILESCNC(COC)Cn1ccn(C)c(=O)c1=O
InChIInChI=1S/C10H17N3O3/c1-11-8(7-16-3)6-13-5-4-12(2)9(14)10(13)15/h4-5,8,11H,6-7H2,1-3H3
InChIKeyZEYLBCOUQSEGJD-UHFFFAOYSA-N
MW227.26 g/mol
LogP-1.22
Rot. Bonds5

About 1-[3-methoxy-2-(methylamino)propyl]-4-methylpyrazine-2,3-dione

1-[3-methoxy-2-(methylamino)propyl]-4-methylpyrazine-2,3-dione (PubChem CID 107506199) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is 1-[3-methoxy-2-(methylamino)propyl]-4-methylpyrazine-2,3-dione.

Molecular Properties

Compound Name1-[3-methoxy-2-(methylamino)propyl]-4-methylpyrazine-2,3-dione
PubChem CID107506199
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC Name1-[3-methoxy-2-(methylamino)propyl]-4-methylpyrazine-2,3-dione
SMILESCNC(COC)Cn1ccn(C)c(=O)c1=O
InChIInChI=1S/C10H17N3O3/c1-11-8(7-16-3)6-13-5-4-12(2)9(14)10(13)15/h4-5,8,11H,6-7H2,1-3H3
InChIKeyZEYLBCOUQSEGJD-UHFFFAOYSA-N
XLogP-1.22
TPSA65.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 5-1.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[3-methoxy-2-(methylamino)propyl]-3-propylimidazol-2-one
CID 107506359
1-[2-(2-methoxyphenyl)-2-(methylamino)ethyl]-4-methylpyrazine-2,3-dione
CID 62927691
1-(2-aminopropyl)-4-methylpyrazine-2,3-dione
CID 62928561
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-methylpiperazine-2,3-dione
CID 107506202
1-[3-methoxy-2-(methylamino)propyl]-6-methylpyridin-2-one
CID 107506125
methyl 4-(4-methyl-2,3-dioxopyrazin-1-yl)butanoate
CID 62929432
methyl 2-ethyl-4-(4-methyl-2,3-dioxopyrazin-1-yl)but-2-enoate
CID 79023601
1-methoxy-N-methyl-3-(1-methylpyrazol-3-yl)propan-2-amine
CID 82876638
3-[(3-methoxy-2-methylpropyl)amino]-1-methylpyrazin-2-one
CID 62939228
1,3-dimethoxy-N-methylpropan-2-amine;ethane
CID 171819113

Frequently Asked Questions

What is the IUPAC name of 1-[3-methoxy-2-(methylamino)propyl]-4-methylpyrazine-2,3-dione?
The IUPAC name of 1-[3-methoxy-2-(methylamino)propyl]-4-methylpyrazine-2,3-dione (CID 107506199) is 1-[3-methoxy-2-(methylamino)propyl]-4-methylpyrazine-2,3-dione.
What is the SMILES notation for 1-[3-methoxy-2-(methylamino)propyl]-4-methylpyrazine-2,3-dione?
The canonical SMILES for 1-[3-methoxy-2-(methylamino)propyl]-4-methylpyrazine-2,3-dione is CNC(COC)Cn1ccn(C)c(=O)c1=O.
What is the InChIKey of 1-[3-methoxy-2-(methylamino)propyl]-4-methylpyrazine-2,3-dione?
The InChIKey is ZEYLBCOUQSEGJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-11-8(7-16-3)6-13-5-4-12(2)9(14)10(13)15/h4-5,8,11H,6-7H2,1-3H3.
What are the key properties of 1-[3-methoxy-2-(methylamino)propyl]-4-methylpyrazine-2,3-dione?
1-[3-methoxy-2-(methylamino)propyl]-4-methylpyrazine-2,3-dione has a molecular weight of 227.26 g/mol, XLogP of -1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methoxy-2-(methylamino)propyl]-4-methylpyrazine-2,3-dione is sourced from PubChem (CID 107506199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).