3-cyclohexyl-6-pyrazin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

C13H14N6S — CID 16765769

IUPAC3-cyclohexyl-6-pyrazin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESc1cnc(-c2nn3c(C4CCCCC4)nnc3s2)cn1
InChIInChI=1S/C13H14N6S/c1-2-4-9(5-3-1)11-16-17-13-19(11)18-12(20-13)10-8-14-6-7-15-10/h6-9H,1-5H2
InChIKeyUYDMCKFXUOORCA-UHFFFAOYSA-N
MW286.36 g/mol
LogP2.69
Rot. Bonds2

About 3-cyclohexyl-6-pyrazin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

3-cyclohexyl-6-pyrazin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (PubChem CID 16765769) has the molecular formula C13H14N6S and a molecular weight of 286.36 g/mol. Its IUPAC name is 3-cyclohexyl-6-pyrazin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name3-cyclohexyl-6-pyrazin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
PubChem CID16765769
Molecular FormulaC13H14N6S
Molecular Weight286.36 g/mol
Exact Mass286.10
IUPAC Name3-cyclohexyl-6-pyrazin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESc1cnc(-c2nn3c(C4CCCCC4)nnc3s2)cn1
InChIInChI=1S/C13H14N6S/c1-2-4-9(5-3-1)11-16-17-13-19(11)18-12(20-13)10-8-14-6-7-15-10/h6-9H,1-5H2
InChIKeyUYDMCKFXUOORCA-UHFFFAOYSA-N
XLogP2.69
TPSA68.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-6-pyrazin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The IUPAC name of 3-cyclohexyl-6-pyrazin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CID 16765769) is 3-cyclohexyl-6-pyrazin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
What is the SMILES notation for 3-cyclohexyl-6-pyrazin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The canonical SMILES for 3-cyclohexyl-6-pyrazin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is c1cnc(-c2nn3c(C4CCCCC4)nnc3s2)cn1.
What is the InChIKey of 3-cyclohexyl-6-pyrazin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The InChIKey is UYDMCKFXUOORCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6S/c1-2-4-9(5-3-1)11-16-17-13-19(11)18-12(20-13)10-8-14-6-7-15-10/h6-9H,1-5H2.
What are the key properties of 3-cyclohexyl-6-pyrazin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
3-cyclohexyl-6-pyrazin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole has a molecular weight of 286.36 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-6-pyrazin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is sourced from PubChem (CID 16765769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).