1-ethyl-3-(4-methylpiperazin-1-yl)pyrazin-2-one

C11H18N4O — CID 53015084

IUPAC1-ethyl-3-(4-methylpiperazin-1-yl)pyrazin-2-one
SMILESCCn1ccnc(N2CCN(C)CC2)c1=O
InChIInChI=1S/C11H18N4O/c1-3-14-5-4-12-10(11(14)16)15-8-6-13(2)7-9-15/h4-5H,3,6-9H2,1-2H3
InChIKeyJCDRYFISEIIGDQ-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.01
Rot. Bonds2

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

1-ethyl-3-(4-methylpiperazin-1-yl)pyrazin-2-one (PubChem CID 53015084) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-ethyl-3-(4-methylpiperazin-1-yl)pyrazin-2-one.

Molecular Properties

Compound Name1-ethyl-3-(4-methylpiperazin-1-yl)pyrazin-2-one
PubChem CID53015084
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name1-ethyl-3-(4-methylpiperazin-1-yl)pyrazin-2-one
SMILESCCn1ccnc(N2CCN(C)CC2)c1=O
InChIInChI=1S/C11H18N4O/c1-3-14-5-4-12-10(11(14)16)15-8-6-13(2)7-9-15/h4-5H,3,6-9H2,1-2H3
InChIKeyJCDRYFISEIIGDQ-UHFFFAOYSA-N
XLogP0.01
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.01
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-methylpiperazin-1-yl)pyrazin-2-one?
The IUPAC name of 1-ethyl-3-(4-methylpiperazin-1-yl)pyrazin-2-one (CID 53015084) is 1-ethyl-3-(4-methylpiperazin-1-yl)pyrazin-2-one.
What is the SMILES notation for 1-ethyl-3-(4-methylpiperazin-1-yl)pyrazin-2-one?
The canonical SMILES for 1-ethyl-3-(4-methylpiperazin-1-yl)pyrazin-2-one is CCn1ccnc(N2CCN(C)CC2)c1=O.
What is the InChIKey of 1-ethyl-3-(4-methylpiperazin-1-yl)pyrazin-2-one?
The InChIKey is JCDRYFISEIIGDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-3-14-5-4-12-10(11(14)16)15-8-6-13(2)7-9-15/h4-5H,3,6-9H2,1-2H3.
What are the key properties of 1-ethyl-3-(4-methylpiperazin-1-yl)pyrazin-2-one?
1-ethyl-3-(4-methylpiperazin-1-yl)pyrazin-2-one has a molecular weight of 222.29 g/mol, XLogP of 0.01, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(4-methylpiperazin-1-yl)pyrazin-2-one is sourced from PubChem (CID 53015084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).