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Cyclobutyl-[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)piperidin-1-yl]methanone

C13H17N5OS — CID 110405424

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACcyclobutyl-[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)piperidin-1-yl]methanone
SMILESO=C(C1CCC1)N1CCC(c2nn3cnnc3s2)CC1
InChIInChI=1S/C13H17N5OS/c19-12(10-2-1-3-10)17-6-4-9(5-7-17)11-16-18-8-14-15-13(18)20-11/h8-10H,1-7H2
InChIKeyFZIPERWQPNIRJP-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.69
Rot. Bonds2

About Cyclobutyl-[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)piperidin-1-yl]methanone

Cyclobutyl-[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)piperidin-1-yl]methanone (PubChem CID 110405424) has the molecular formula C13H17N5OS and a molecular weight of 291.38 g/mol. Its IUPAC name is cyclobutyl-[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound NameCyclobutyl-[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)piperidin-1-yl]methanone
PubChem CID110405424
Molecular FormulaC13H17N5OS
Molecular Weight291.38 g/mol
Exact Mass291.12
IUPAC Namecyclobutyl-[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)piperidin-1-yl]methanone
SMILESO=C(C1CCC1)N1CCC(c2nn3cnnc3s2)CC1
InChIInChI=1S/C13H17N5OS/c19-12(10-2-1-3-10)17-6-4-9(5-7-17)11-16-18-8-14-15-13(18)20-11/h8-10H,1-7H2
InChIKeyFZIPERWQPNIRJP-UHFFFAOYSA-N
XLogP1.69
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of Cyclobutyl-[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)piperidin-1-yl]methanone?
The IUPAC name of Cyclobutyl-[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)piperidin-1-yl]methanone (CID 110405424) is cyclobutyl-[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)piperidin-1-yl]methanone.
What is the SMILES notation for Cyclobutyl-[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)piperidin-1-yl]methanone?
The canonical SMILES for Cyclobutyl-[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)piperidin-1-yl]methanone is O=C(C1CCC1)N1CCC(c2nn3cnnc3s2)CC1.
What is the InChIKey of Cyclobutyl-[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)piperidin-1-yl]methanone?
The InChIKey is FZIPERWQPNIRJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5OS/c19-12(10-2-1-3-10)17-6-4-9(5-7-17)11-16-18-8-14-15-13(18)20-11/h8-10H,1-7H2.
What are the key properties of Cyclobutyl-[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)piperidin-1-yl]methanone?
Cyclobutyl-[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)piperidin-1-yl]methanone has a molecular weight of 291.38 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for Cyclobutyl-[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 110405424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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