3-(2-ethylpiperazin-1-yl)-1-propylpyrazin-2-one

C13H22N4O — CID 63600952

IUPAC3-(2-ethylpiperazin-1-yl)-1-propylpyrazin-2-one
SMILESCCCn1ccnc(N2CCNCC2CC)c1=O
InChIInChI=1S/C13H22N4O/c1-3-7-16-8-6-15-12(13(16)18)17-9-5-14-10-11(17)4-2/h6,8,11,14H,3-5,7,9-10H2,1-2H3
InChIKeyJWHHZJKLVWLCOB-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.84
Rot. Bonds4

About 3-(2-ethylpiperazin-1-yl)-1-propylpyrazin-2-one

3-(2-ethylpiperazin-1-yl)-1-propylpyrazin-2-one (PubChem CID 63600952) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 3-(2-ethylpiperazin-1-yl)-1-propylpyrazin-2-one.

Molecular Properties

Compound Name3-(2-ethylpiperazin-1-yl)-1-propylpyrazin-2-one
PubChem CID63600952
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name3-(2-ethylpiperazin-1-yl)-1-propylpyrazin-2-one
SMILESCCCn1ccnc(N2CCNCC2CC)c1=O
InChIInChI=1S/C13H22N4O/c1-3-7-16-8-6-15-12(13(16)18)17-9-5-14-10-11(17)4-2/h6,8,11,14H,3-5,7,9-10H2,1-2H3
InChIKeyJWHHZJKLVWLCOB-UHFFFAOYSA-N
XLogP0.84
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(2-ethylpiperazin-1-yl)-1-propylpyrazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylpiperazin-1-yl)-1-propylpyrazin-2-one?
The IUPAC name of 3-(2-ethylpiperazin-1-yl)-1-propylpyrazin-2-one (CID 63600952) is 3-(2-ethylpiperazin-1-yl)-1-propylpyrazin-2-one.
What is the SMILES notation for 3-(2-ethylpiperazin-1-yl)-1-propylpyrazin-2-one?
The canonical SMILES for 3-(2-ethylpiperazin-1-yl)-1-propylpyrazin-2-one is CCCn1ccnc(N2CCNCC2CC)c1=O.
What is the InChIKey of 3-(2-ethylpiperazin-1-yl)-1-propylpyrazin-2-one?
The InChIKey is JWHHZJKLVWLCOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-3-7-16-8-6-15-12(13(16)18)17-9-5-14-10-11(17)4-2/h6,8,11,14H,3-5,7,9-10H2,1-2H3.
What are the key properties of 3-(2-ethylpiperazin-1-yl)-1-propylpyrazin-2-one?
3-(2-ethylpiperazin-1-yl)-1-propylpyrazin-2-one has a molecular weight of 250.35 g/mol, XLogP of 0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylpiperazin-1-yl)-1-propylpyrazin-2-one is sourced from PubChem (CID 63600952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).