1-[4-[3-(dimethylamino)pyrazin-2-yl]piperazin-1-yl]ethanone

C12H19N5O — CID 53014908

IUPAC1-[4-[3-(dimethylamino)pyrazin-2-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2nccnc2N(C)C)CC1
InChIInChI=1S/C12H19N5O/c1-10(18)16-6-8-17(9-7-16)12-11(15(2)3)13-4-5-14-12/h4-5H,6-9H2,1-3H3
InChIKeyJSTUWQKGWDSMAQ-UHFFFAOYSA-N
MW249.32 g/mol
LogP0.21
Rot. Bonds2

About 1-[4-[3-(dimethylamino)pyrazin-2-yl]piperazin-1-yl]ethanone

1-[4-[3-(dimethylamino)pyrazin-2-yl]piperazin-1-yl]ethanone (PubChem CID 53014908) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is 1-[4-[3-(dimethylamino)pyrazin-2-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[3-(dimethylamino)pyrazin-2-yl]piperazin-1-yl]ethanone
PubChem CID53014908
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name1-[4-[3-(dimethylamino)pyrazin-2-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2nccnc2N(C)C)CC1
InChIInChI=1S/C12H19N5O/c1-10(18)16-6-8-17(9-7-16)12-11(15(2)3)13-4-5-14-12/h4-5H,6-9H2,1-3H3
InChIKeyJSTUWQKGWDSMAQ-UHFFFAOYSA-N
XLogP0.21
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 50.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(dimethylamino)pyrazin-2-yl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[3-(dimethylamino)pyrazin-2-yl]piperazin-1-yl]ethanone (CID 53014908) is 1-[4-[3-(dimethylamino)pyrazin-2-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[3-(dimethylamino)pyrazin-2-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[3-(dimethylamino)pyrazin-2-yl]piperazin-1-yl]ethanone is CC(=O)N1CCN(c2nccnc2N(C)C)CC1.
What is the InChIKey of 1-[4-[3-(dimethylamino)pyrazin-2-yl]piperazin-1-yl]ethanone?
The InChIKey is JSTUWQKGWDSMAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-10(18)16-6-8-17(9-7-16)12-11(15(2)3)13-4-5-14-12/h4-5H,6-9H2,1-3H3.
What are the key properties of 1-[4-[3-(dimethylamino)pyrazin-2-yl]piperazin-1-yl]ethanone?
1-[4-[3-(dimethylamino)pyrazin-2-yl]piperazin-1-yl]ethanone has a molecular weight of 249.32 g/mol, XLogP of 0.21, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(dimethylamino)pyrazin-2-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 53014908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).