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

C12H19N3O2 — CID 55155093

IUPAC1-[2-(cyclopentylamino)ethyl]-4-methylpyrazine-2,3-dione
SMILESCn1ccn(CCNC2CCCC2)c(=O)c1=O
InChIInChI=1S/C12H19N3O2/c1-14-8-9-15(12(17)11(14)16)7-6-13-10-4-2-3-5-10/h8-10,13H,2-7H2,1H3
InChIKeyJAKXGZLFYSVTEG-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.08
Rot. Bonds4

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

1-[2-(cyclopentylamino)ethyl]-4-methylpyrazine-2,3-dione (PubChem CID 55155093) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 1-[2-(cyclopentylamino)ethyl]-4-methylpyrazine-2,3-dione.

Molecular Properties

Compound Name1-[2-(cyclopentylamino)ethyl]-4-methylpyrazine-2,3-dione
PubChem CID55155093
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name1-[2-(cyclopentylamino)ethyl]-4-methylpyrazine-2,3-dione
SMILESCn1ccn(CCNC2CCCC2)c(=O)c1=O
InChIInChI=1S/C12H19N3O2/c1-14-8-9-15(12(17)11(14)16)7-6-13-10-4-2-3-5-10/h8-10,13H,2-7H2,1H3
InChIKeyJAKXGZLFYSVTEG-UHFFFAOYSA-N
XLogP0.08
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.08
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-[2-(cyclopentylamino)ethyl]-4-methylpyrazine-2,3-dione?
The IUPAC name of 1-[2-(cyclopentylamino)ethyl]-4-methylpyrazine-2,3-dione (CID 55155093) is 1-[2-(cyclopentylamino)ethyl]-4-methylpyrazine-2,3-dione.
What is the SMILES notation for 1-[2-(cyclopentylamino)ethyl]-4-methylpyrazine-2,3-dione?
The canonical SMILES for 1-[2-(cyclopentylamino)ethyl]-4-methylpyrazine-2,3-dione is Cn1ccn(CCNC2CCCC2)c(=O)c1=O.
What is the InChIKey of 1-[2-(cyclopentylamino)ethyl]-4-methylpyrazine-2,3-dione?
The InChIKey is JAKXGZLFYSVTEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-14-8-9-15(12(17)11(14)16)7-6-13-10-4-2-3-5-10/h8-10,13H,2-7H2,1H3.
What are the key properties of 1-[2-(cyclopentylamino)ethyl]-4-methylpyrazine-2,3-dione?
1-[2-(cyclopentylamino)ethyl]-4-methylpyrazine-2,3-dione has a molecular weight of 237.30 g/mol, XLogP of 0.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclopentylamino)ethyl]-4-methylpyrazine-2,3-dione is sourced from PubChem (CID 55155093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).