3-cyclohexyl-1,2,3,4-tetrahydrothieno[3,4-b]pyrazine

C12H18N2S — CID 82376508

IUPAC3-cyclohexyl-1,2,3,4-tetrahydrothieno[3,4-b]pyrazine
SMILESc1scc2c1NCC(C1CCCCC1)N2
InChIInChI=1S/C12H18N2S/c1-2-4-9(5-3-1)10-6-13-11-7-15-8-12(11)14-10/h7-10,13-14H,1-6H2
InChIKeyWWNLNCHLASZIET-UHFFFAOYSA-N
MW222.36 g/mol
LogP3.53
Rot. Bonds1

About 3-cyclohexyl-1,2,3,4-tetrahydrothieno[3,4-b]pyrazine

3-cyclohexyl-1,2,3,4-tetrahydrothieno[3,4-b]pyrazine (PubChem CID 82376508) has the molecular formula C12H18N2S and a molecular weight of 222.36 g/mol. Its IUPAC name is 3-cyclohexyl-1,2,3,4-tetrahydrothieno[3,4-b]pyrazine.

Molecular Properties

Compound Name3-cyclohexyl-1,2,3,4-tetrahydrothieno[3,4-b]pyrazine
PubChem CID82376508
Molecular FormulaC12H18N2S
Molecular Weight222.36 g/mol
Exact Mass222.12
IUPAC Name3-cyclohexyl-1,2,3,4-tetrahydrothieno[3,4-b]pyrazine
SMILESc1scc2c1NCC(C1CCCCC1)N2
InChIInChI=1S/C12H18N2S/c1-2-4-9(5-3-1)10-6-13-11-7-15-8-12(11)14-10/h7-10,13-14H,1-6H2
InChIKeyWWNLNCHLASZIET-UHFFFAOYSA-N
XLogP3.53
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.36
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1,2,3,4-tetrahydrothieno[3,4-b]pyrazine?
The IUPAC name of 3-cyclohexyl-1,2,3,4-tetrahydrothieno[3,4-b]pyrazine (CID 82376508) is 3-cyclohexyl-1,2,3,4-tetrahydrothieno[3,4-b]pyrazine.
What is the SMILES notation for 3-cyclohexyl-1,2,3,4-tetrahydrothieno[3,4-b]pyrazine?
The canonical SMILES for 3-cyclohexyl-1,2,3,4-tetrahydrothieno[3,4-b]pyrazine is c1scc2c1NCC(C1CCCCC1)N2.
What is the InChIKey of 3-cyclohexyl-1,2,3,4-tetrahydrothieno[3,4-b]pyrazine?
The InChIKey is WWNLNCHLASZIET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2S/c1-2-4-9(5-3-1)10-6-13-11-7-15-8-12(11)14-10/h7-10,13-14H,1-6H2.
What are the key properties of 3-cyclohexyl-1,2,3,4-tetrahydrothieno[3,4-b]pyrazine?
3-cyclohexyl-1,2,3,4-tetrahydrothieno[3,4-b]pyrazine has a molecular weight of 222.36 g/mol, XLogP of 3.53, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1,2,3,4-tetrahydrothieno[3,4-b]pyrazine is sourced from PubChem (CID 82376508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).