5,7-ditert-butylthieno[3,4-b]pyrazine

C14H20N2S — CID 134445588

IUPAC5,7-ditert-butylthieno[3,4-b]pyrazine
SMILESCC(C)(C)c1sc(C(C)(C)C)c2nccnc12
InChIInChI=1S/C14H20N2S/c1-13(2,3)11-9-10(16-8-7-15-9)12(17-11)14(4,5)6/h7-8H,1-6H3
InChIKeyJRXQKHDWRBGYJV-UHFFFAOYSA-N
MW248.39 g/mol
LogP4.29
Rot. Bonds

About 5,7-ditert-butylthieno[3,4-b]pyrazine

5,7-ditert-butylthieno[3,4-b]pyrazine (PubChem CID 134445588) has the molecular formula C14H20N2S and a molecular weight of 248.39 g/mol. Its IUPAC name is 5,7-ditert-butylthieno[3,4-b]pyrazine.

Molecular Properties

Compound Name5,7-ditert-butylthieno[3,4-b]pyrazine
PubChem CID134445588
Molecular FormulaC14H20N2S
Molecular Weight248.39 g/mol
Exact Mass248.13
IUPAC Name5,7-ditert-butylthieno[3,4-b]pyrazine
SMILESCC(C)(C)c1sc(C(C)(C)C)c2nccnc12
InChIInChI=1S/C14H20N2S/c1-13(2,3)11-9-10(16-8-7-15-9)12(17-11)14(4,5)6/h7-8H,1-6H3
InChIKeyJRXQKHDWRBGYJV-UHFFFAOYSA-N
XLogP4.29
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,7-ditert-butylthieno[3,4-b]pyrazine?
The IUPAC name of 5,7-ditert-butylthieno[3,4-b]pyrazine (CID 134445588) is 5,7-ditert-butylthieno[3,4-b]pyrazine.
What is the SMILES notation for 5,7-ditert-butylthieno[3,4-b]pyrazine?
The canonical SMILES for 5,7-ditert-butylthieno[3,4-b]pyrazine is CC(C)(C)c1sc(C(C)(C)C)c2nccnc12.
What is the InChIKey of 5,7-ditert-butylthieno[3,4-b]pyrazine?
The InChIKey is JRXQKHDWRBGYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2S/c1-13(2,3)11-9-10(16-8-7-15-9)12(17-11)14(4,5)6/h7-8H,1-6H3.
What are the key properties of 5,7-ditert-butylthieno[3,4-b]pyrazine?
5,7-ditert-butylthieno[3,4-b]pyrazine has a molecular weight of 248.39 g/mol, XLogP of 4.29, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-ditert-butylthieno[3,4-b]pyrazine is sourced from PubChem (CID 134445588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).