1-methyl-4-[2-(oxolan-3-yl)-2-(propylamino)ethyl]pyrazine-2,3-dione

C14H23N3O3 — CID 104747581

IUPAC1-methyl-4-[2-(oxolan-3-yl)-2-(propylamino)ethyl]pyrazine-2,3-dione
SMILESCCCNC(Cn1ccn(C)c(=O)c1=O)C1CCOC1
InChIInChI=1S/C14H23N3O3/c1-3-5-15-12(11-4-8-20-10-11)9-17-7-6-16(2)13(18)14(17)19/h6-7,11-12,15H,3-5,8-10H2,1-2H3
InChIKeyZJHTVPLFDFZFEB-UHFFFAOYSA-N
MW281.36 g/mol
LogP-0.05
Rot. Bonds6

About 1-methyl-4-[2-(oxolan-3-yl)-2-(propylamino)ethyl]pyrazine-2,3-dione

1-methyl-4-[2-(oxolan-3-yl)-2-(propylamino)ethyl]pyrazine-2,3-dione (PubChem CID 104747581) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-methyl-4-[2-(oxolan-3-yl)-2-(propylamino)ethyl]pyrazine-2,3-dione.

Molecular Properties

Compound Name1-methyl-4-[2-(oxolan-3-yl)-2-(propylamino)ethyl]pyrazine-2,3-dione
PubChem CID104747581
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name1-methyl-4-[2-(oxolan-3-yl)-2-(propylamino)ethyl]pyrazine-2,3-dione
SMILESCCCNC(Cn1ccn(C)c(=O)c1=O)C1CCOC1
InChIInChI=1S/C14H23N3O3/c1-3-5-15-12(11-4-8-20-10-11)9-17-7-6-16(2)13(18)14(17)19/h6-7,11-12,15H,3-5,8-10H2,1-2H3
InChIKeyZJHTVPLFDFZFEB-UHFFFAOYSA-N
XLogP-0.05
TPSA65.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 5-0.05
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-[2-(oxolan-3-yl)-2-(propylamino)ethyl]pyridin-4-one
CID 104747569
1-[2-cyclopentyl-2-(ethylamino)ethyl]-4-methylpyrazine-2,3-dione
CID 104747580
N-[1-(oxolan-3-yl)-2-(2-propylimidazol-1-yl)ethyl]propan-1-amine
CID 104747739
4,4-dimethyl-1-[2-(oxolan-3-yl)-2-(propylamino)ethyl]piperidine-2,6-dione
CID 104747633
3,3-dimethyl-1-[2-(oxolan-3-yl)-2-(propylamino)ethyl]pyrrolidine-2,5-dione
CID 104747873
ethyl 3-(oxolan-3-yl)-3-(propylamino)propanoate
CID 65235685
5-[2-cyclopropyl-2-(propylamino)ethyl]pyrazolo[1,5-a]pyrazin-4-one
CID 104734770
1-[2-cyclopropyl-2-(propylamino)ethyl]-3-methylpyridin-2-one
CID 63914629
N-[2-(4-ethylphenyl)-1-(oxolan-3-yl)ethyl]propan-1-amine
CID 65330199
1-[2-cyclohexyl-2-(propylamino)ethyl]-3-ethylimidazol-2-one
CID 104748010
N-[2-(furan-3-yl)-1-(oxolan-3-yl)ethyl]propan-1-amine
CID 83175448
N-[2-(5-bromothiophen-2-yl)-1-(oxolan-3-yl)ethyl]propan-1-amine
CID 65330697

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[2-(oxolan-3-yl)-2-(propylamino)ethyl]pyrazine-2,3-dione?
The IUPAC name of 1-methyl-4-[2-(oxolan-3-yl)-2-(propylamino)ethyl]pyrazine-2,3-dione (CID 104747581) is 1-methyl-4-[2-(oxolan-3-yl)-2-(propylamino)ethyl]pyrazine-2,3-dione.
What is the SMILES notation for 1-methyl-4-[2-(oxolan-3-yl)-2-(propylamino)ethyl]pyrazine-2,3-dione?
The canonical SMILES for 1-methyl-4-[2-(oxolan-3-yl)-2-(propylamino)ethyl]pyrazine-2,3-dione is CCCNC(Cn1ccn(C)c(=O)c1=O)C1CCOC1.
What is the InChIKey of 1-methyl-4-[2-(oxolan-3-yl)-2-(propylamino)ethyl]pyrazine-2,3-dione?
The InChIKey is ZJHTVPLFDFZFEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-3-5-15-12(11-4-8-20-10-11)9-17-7-6-16(2)13(18)14(17)19/h6-7,11-12,15H,3-5,8-10H2,1-2H3.
What are the key properties of 1-methyl-4-[2-(oxolan-3-yl)-2-(propylamino)ethyl]pyrazine-2,3-dione?
1-methyl-4-[2-(oxolan-3-yl)-2-(propylamino)ethyl]pyrazine-2,3-dione has a molecular weight of 281.36 g/mol, XLogP of -0.05, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[2-(oxolan-3-yl)-2-(propylamino)ethyl]pyrazine-2,3-dione is sourced from PubChem (CID 104747581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).