1-ethyl-3-(4-propan-2-ylpiperazin-1-yl)pyrazin-2-one

C13H22N4O — CID 53015086

IUPAC1-ethyl-3-(4-propan-2-ylpiperazin-1-yl)pyrazin-2-one
SMILESCCn1ccnc(N2CCN(C(C)C)CC2)c1=O
InChIInChI=1S/C13H22N4O/c1-4-15-6-5-14-12(13(15)18)17-9-7-16(8-10-17)11(2)3/h5-6,11H,4,7-10H2,1-3H3
InChIKeyZOHFWOGDEPQQQZ-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.79
Rot. Bonds3

About 1-ethyl-3-(4-propan-2-ylpiperazin-1-yl)pyrazin-2-one

1-ethyl-3-(4-propan-2-ylpiperazin-1-yl)pyrazin-2-one (PubChem CID 53015086) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 1-ethyl-3-(4-propan-2-ylpiperazin-1-yl)pyrazin-2-one.

Molecular Properties

Compound Name1-ethyl-3-(4-propan-2-ylpiperazin-1-yl)pyrazin-2-one
PubChem CID53015086
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name1-ethyl-3-(4-propan-2-ylpiperazin-1-yl)pyrazin-2-one
SMILESCCn1ccnc(N2CCN(C(C)C)CC2)c1=O
InChIInChI=1S/C13H22N4O/c1-4-15-6-5-14-12(13(15)18)17-9-7-16(8-10-17)11(2)3/h5-6,11H,4,7-10H2,1-3H3
InChIKeyZOHFWOGDEPQQQZ-UHFFFAOYSA-N
XLogP0.79
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(4-propan-2-ylpiperazin-1-yl)pyrazin-2-one?
The IUPAC name of 1-ethyl-3-(4-propan-2-ylpiperazin-1-yl)pyrazin-2-one (CID 53015086) is 1-ethyl-3-(4-propan-2-ylpiperazin-1-yl)pyrazin-2-one.
What is the SMILES notation for 1-ethyl-3-(4-propan-2-ylpiperazin-1-yl)pyrazin-2-one?
The canonical SMILES for 1-ethyl-3-(4-propan-2-ylpiperazin-1-yl)pyrazin-2-one is CCn1ccnc(N2CCN(C(C)C)CC2)c1=O.
What is the InChIKey of 1-ethyl-3-(4-propan-2-ylpiperazin-1-yl)pyrazin-2-one?
The InChIKey is ZOHFWOGDEPQQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-4-15-6-5-14-12(13(15)18)17-9-7-16(8-10-17)11(2)3/h5-6,11H,4,7-10H2,1-3H3.
What are the key properties of 1-ethyl-3-(4-propan-2-ylpiperazin-1-yl)pyrazin-2-one?
1-ethyl-3-(4-propan-2-ylpiperazin-1-yl)pyrazin-2-one has a molecular weight of 250.35 g/mol, XLogP of 0.79, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(4-propan-2-ylpiperazin-1-yl)pyrazin-2-one is sourced from PubChem (CID 53015086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).