5-(3-cyclobutyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-3-methyl-1,2-oxazole

C11H11N5OS — CID 71707625

IUPAC5-(3-cyclobutyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-3-methyl-1,2-oxazole
SMILESCc1cc(-c2nn3c(C4CCC4)nnc3s2)on1
InChIInChI=1S/C11H11N5OS/c1-6-5-8(17-15-6)10-14-16-9(7-3-2-4-7)12-13-11(16)18-10/h5,7H,2-4H2,1H3
InChIKeyGUMYRUXZSDAMRS-UHFFFAOYSA-N
MW261.31 g/mol
LogP2.42
Rot. Bonds2

About 5-(3-cyclobutyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-3-methyl-1,2-oxazole

5-(3-cyclobutyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-3-methyl-1,2-oxazole (PubChem CID 71707625) has the molecular formula C11H11N5OS and a molecular weight of 261.31 g/mol. Its IUPAC name is 5-(3-cyclobutyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-(3-cyclobutyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-3-methyl-1,2-oxazole
PubChem CID71707625
Molecular FormulaC11H11N5OS
Molecular Weight261.31 g/mol
Exact Mass261.07
IUPAC Name5-(3-cyclobutyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-3-methyl-1,2-oxazole
SMILESCc1cc(-c2nn3c(C4CCC4)nnc3s2)on1
InChIInChI=1S/C11H11N5OS/c1-6-5-8(17-15-6)10-14-16-9(7-3-2-4-7)12-13-11(16)18-10/h5,7H,2-4H2,1H3
InChIKeyGUMYRUXZSDAMRS-UHFFFAOYSA-N
XLogP2.42
TPSA69.11 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(3-cyclobutyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-3-methyl-1,2-oxazole?
The IUPAC name of 5-(3-cyclobutyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-3-methyl-1,2-oxazole (CID 71707625) is 5-(3-cyclobutyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-3-methyl-1,2-oxazole.
What is the SMILES notation for 5-(3-cyclobutyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-3-methyl-1,2-oxazole?
The canonical SMILES for 5-(3-cyclobutyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-3-methyl-1,2-oxazole is Cc1cc(-c2nn3c(C4CCC4)nnc3s2)on1.
What is the InChIKey of 5-(3-cyclobutyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-3-methyl-1,2-oxazole?
The InChIKey is GUMYRUXZSDAMRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5OS/c1-6-5-8(17-15-6)10-14-16-9(7-3-2-4-7)12-13-11(16)18-10/h5,7H,2-4H2,1H3.
What are the key properties of 5-(3-cyclobutyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-3-methyl-1,2-oxazole?
5-(3-cyclobutyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-3-methyl-1,2-oxazole has a molecular weight of 261.31 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-cyclobutyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-3-methyl-1,2-oxazole is sourced from PubChem (CID 71707625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).