1-ethyl-3-[(2-oxo-2-piperazin-1-ylethyl)amino]pyrazin-2-one

C12H19N5O2 — CID 62929883

IUPAC1-ethyl-3-[(2-oxo-2-piperazin-1-ylethyl)amino]pyrazin-2-one
SMILESCCn1ccnc(NCC(=O)N2CCNCC2)c1=O
InChIInChI=1S/C12H19N5O2/c1-2-16-8-5-14-11(12(16)19)15-9-10(18)17-6-3-13-4-7-17/h5,8,13H,2-4,6-7,9H2,1H3,(H,14,15)
InChIKeyDLLKKASHAUTBHN-UHFFFAOYSA-N
MW265.32 g/mol
LogP-0.89
Rot. Bonds4

About 1-ethyl-3-[(2-oxo-2-piperazin-1-ylethyl)amino]pyrazin-2-one

1-ethyl-3-[(2-oxo-2-piperazin-1-ylethyl)amino]pyrazin-2-one (PubChem CID 62929883) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is 1-ethyl-3-[(2-oxo-2-piperazin-1-ylethyl)amino]pyrazin-2-one.

Molecular Properties

Compound Name1-ethyl-3-[(2-oxo-2-piperazin-1-ylethyl)amino]pyrazin-2-one
PubChem CID62929883
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC Name1-ethyl-3-[(2-oxo-2-piperazin-1-ylethyl)amino]pyrazin-2-one
SMILESCCn1ccnc(NCC(=O)N2CCNCC2)c1=O
InChIInChI=1S/C12H19N5O2/c1-2-16-8-5-14-11(12(16)19)15-9-10(18)17-6-3-13-4-7-17/h5,8,13H,2-4,6-7,9H2,1H3,(H,14,15)
InChIKeyDLLKKASHAUTBHN-UHFFFAOYSA-N
XLogP-0.89
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 5-0.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(2-oxo-2-piperazin-1-ylethyl)amino]pyrazin-2-one?
The IUPAC name of 1-ethyl-3-[(2-oxo-2-piperazin-1-ylethyl)amino]pyrazin-2-one (CID 62929883) is 1-ethyl-3-[(2-oxo-2-piperazin-1-ylethyl)amino]pyrazin-2-one.
What is the SMILES notation for 1-ethyl-3-[(2-oxo-2-piperazin-1-ylethyl)amino]pyrazin-2-one?
The canonical SMILES for 1-ethyl-3-[(2-oxo-2-piperazin-1-ylethyl)amino]pyrazin-2-one is CCn1ccnc(NCC(=O)N2CCNCC2)c1=O.
What is the InChIKey of 1-ethyl-3-[(2-oxo-2-piperazin-1-ylethyl)amino]pyrazin-2-one?
The InChIKey is DLLKKASHAUTBHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c1-2-16-8-5-14-11(12(16)19)15-9-10(18)17-6-3-13-4-7-17/h5,8,13H,2-4,6-7,9H2,1H3,(H,14,15).
What are the key properties of 1-ethyl-3-[(2-oxo-2-piperazin-1-ylethyl)amino]pyrazin-2-one?
1-ethyl-3-[(2-oxo-2-piperazin-1-ylethyl)amino]pyrazin-2-one has a molecular weight of 265.32 g/mol, XLogP of -0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(2-oxo-2-piperazin-1-ylethyl)amino]pyrazin-2-one is sourced from PubChem (CID 62929883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).