3-phenylthieno[3,4-b]pyrazine

C12H8N2S — CID 13142889

IUPAC3-phenylthieno[3,4-b]pyrazine
SMILESc1ccc(-c2cnc3cscc3n2)cc1
InChIInChI=1S/C12H8N2S/c1-2-4-9(5-3-1)10-6-13-11-7-15-8-12(11)14-10/h1-8H
InChIKeyJAWKWOQUGKLQKX-UHFFFAOYSA-N
MW212.28 g/mol
LogP3.36
Rot. Bonds1

About 3-phenylthieno[3,4-b]pyrazine

3-phenylthieno[3,4-b]pyrazine (PubChem CID 13142889) has the molecular formula C12H8N2S and a molecular weight of 212.28 g/mol. Its IUPAC name is 3-phenylthieno[3,4-b]pyrazine.

Molecular Properties

Compound Name3-phenylthieno[3,4-b]pyrazine
PubChem CID13142889
Molecular FormulaC12H8N2S
Molecular Weight212.28 g/mol
Exact Mass212.04
IUPAC Name3-phenylthieno[3,4-b]pyrazine
SMILESc1ccc(-c2cnc3cscc3n2)cc1
InChIInChI=1S/C12H8N2S/c1-2-4-9(5-3-1)10-6-13-11-7-15-8-12(11)14-10/h1-8H
InChIKeyJAWKWOQUGKLQKX-UHFFFAOYSA-N
XLogP3.36
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.28
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-phenylthieno[3,4-b]pyrazine?
The IUPAC name of 3-phenylthieno[3,4-b]pyrazine (CID 13142889) is 3-phenylthieno[3,4-b]pyrazine.
What is the SMILES notation for 3-phenylthieno[3,4-b]pyrazine?
The canonical SMILES for 3-phenylthieno[3,4-b]pyrazine is c1ccc(-c2cnc3cscc3n2)cc1.
What is the InChIKey of 3-phenylthieno[3,4-b]pyrazine?
The InChIKey is JAWKWOQUGKLQKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2S/c1-2-4-9(5-3-1)10-6-13-11-7-15-8-12(11)14-10/h1-8H.
What are the key properties of 3-phenylthieno[3,4-b]pyrazine?
3-phenylthieno[3,4-b]pyrazine has a molecular weight of 212.28 g/mol, XLogP of 3.36, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylthieno[3,4-b]pyrazine is sourced from PubChem (CID 13142889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).