5-thiophen-2-yl-1,2,3,6-tetrahydropyrazine

C8H10N2S — CID 18445364

IUPAC5-thiophen-2-yl-1,2,3,6-tetrahydropyrazine
SMILESc1csc(C2=NCCNC2)c1
InChIInChI=1S/C8H10N2S/c1-2-8(11-5-1)7-6-9-3-4-10-7/h1-2,5,9H,3-4,6H2
InChIKeyIHYQYMIAVVXING-UHFFFAOYSA-N
MW166.25 g/mol
LogP1.14
Rot. Bonds1

About 5-thiophen-2-yl-1,2,3,6-tetrahydropyrazine

5-thiophen-2-yl-1,2,3,6-tetrahydropyrazine (PubChem CID 18445364) has the molecular formula C8H10N2S and a molecular weight of 166.25 g/mol. Its IUPAC name is 5-thiophen-2-yl-1,2,3,6-tetrahydropyrazine.

Molecular Properties

Compound Name5-thiophen-2-yl-1,2,3,6-tetrahydropyrazine
PubChem CID18445364
Molecular FormulaC8H10N2S
Molecular Weight166.25 g/mol
Exact Mass166.06
IUPAC Name5-thiophen-2-yl-1,2,3,6-tetrahydropyrazine
SMILESc1csc(C2=NCCNC2)c1
InChIInChI=1S/C8H10N2S/c1-2-8(11-5-1)7-6-9-3-4-10-7/h1-2,5,9H,3-4,6H2
InChIKeyIHYQYMIAVVXING-UHFFFAOYSA-N
XLogP1.14
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.25
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-thiophen-2-yl-1,2,3,6-tetrahydropyrazine?
The IUPAC name of 5-thiophen-2-yl-1,2,3,6-tetrahydropyrazine (CID 18445364) is 5-thiophen-2-yl-1,2,3,6-tetrahydropyrazine.
What is the SMILES notation for 5-thiophen-2-yl-1,2,3,6-tetrahydropyrazine?
The canonical SMILES for 5-thiophen-2-yl-1,2,3,6-tetrahydropyrazine is c1csc(C2=NCCNC2)c1.
What is the InChIKey of 5-thiophen-2-yl-1,2,3,6-tetrahydropyrazine?
The InChIKey is IHYQYMIAVVXING-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2S/c1-2-8(11-5-1)7-6-9-3-4-10-7/h1-2,5,9H,3-4,6H2.
What are the key properties of 5-thiophen-2-yl-1,2,3,6-tetrahydropyrazine?
5-thiophen-2-yl-1,2,3,6-tetrahydropyrazine has a molecular weight of 166.25 g/mol, XLogP of 1.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-thiophen-2-yl-1,2,3,6-tetrahydropyrazine is sourced from PubChem (CID 18445364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).