2-piperazin-1-yl-6-thiophen-3-ylpyrazine

C12H14N4S — CID 18186921

IUPAC2-piperazin-1-yl-6-thiophen-3-ylpyrazine
SMILESc1cc(-c2cncc(N3CCNCC3)n2)cs1
InChIInChI=1S/C12H14N4S/c1-6-17-9-10(1)11-7-14-8-12(15-11)16-4-2-13-3-5-16/h1,6-9,13H,2-5H2
InChIKeyRAEQXHULDSJJES-UHFFFAOYSA-N
MW246.34 g/mol
LogP1.61
Rot. Bonds2

About 2-piperazin-1-yl-6-thiophen-3-ylpyrazine

2-piperazin-1-yl-6-thiophen-3-ylpyrazine (PubChem CID 18186921) has the molecular formula C12H14N4S and a molecular weight of 246.34 g/mol. Its IUPAC name is 2-piperazin-1-yl-6-thiophen-3-ylpyrazine.

Molecular Properties

Compound Name2-piperazin-1-yl-6-thiophen-3-ylpyrazine
PubChem CID18186921
Molecular FormulaC12H14N4S
Molecular Weight246.34 g/mol
Exact Mass246.09
IUPAC Name2-piperazin-1-yl-6-thiophen-3-ylpyrazine
SMILESc1cc(-c2cncc(N3CCNCC3)n2)cs1
InChIInChI=1S/C12H14N4S/c1-6-17-9-10(1)11-7-14-8-12(15-11)16-4-2-13-3-5-16/h1,6-9,13H,2-5H2
InChIKeyRAEQXHULDSJJES-UHFFFAOYSA-N
XLogP1.61
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-yl-6-thiophen-3-ylpyrazine?
The IUPAC name of 2-piperazin-1-yl-6-thiophen-3-ylpyrazine (CID 18186921) is 2-piperazin-1-yl-6-thiophen-3-ylpyrazine.
What is the SMILES notation for 2-piperazin-1-yl-6-thiophen-3-ylpyrazine?
The canonical SMILES for 2-piperazin-1-yl-6-thiophen-3-ylpyrazine is c1cc(-c2cncc(N3CCNCC3)n2)cs1.
What is the InChIKey of 2-piperazin-1-yl-6-thiophen-3-ylpyrazine?
The InChIKey is RAEQXHULDSJJES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4S/c1-6-17-9-10(1)11-7-14-8-12(15-11)16-4-2-13-3-5-16/h1,6-9,13H,2-5H2.
What are the key properties of 2-piperazin-1-yl-6-thiophen-3-ylpyrazine?
2-piperazin-1-yl-6-thiophen-3-ylpyrazine has a molecular weight of 246.34 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-yl-6-thiophen-3-ylpyrazine is sourced from PubChem (CID 18186921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).