N-[2-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]ethyl]cyclobutanecarboxamide

C11H12F3N5OS — CID 110401907

IUPACN-[2-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]ethyl]cyclobutanecarboxamide
SMILESO=C(NCCc1nn2c(C(F)(F)F)nnc2s1)C1CCC1
InChIInChI=1S/C11H12F3N5OS/c12-11(13,14)9-16-17-10-19(9)18-7(21-10)4-5-15-8(20)6-2-1-3-6/h6H,1-5H2,(H,15,20)
InChIKeyQOQGJMJZKFUDNB-UHFFFAOYSA-N
MW319.31 g/mol
LogP1.66
Rot. Bonds4

About N-[2-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]ethyl]cyclobutanecarboxamide

N-[2-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]ethyl]cyclobutanecarboxamide (PubChem CID 110401907) has the molecular formula C11H12F3N5OS and a molecular weight of 319.31 g/mol. Its IUPAC name is N-[2-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]ethyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[2-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]ethyl]cyclobutanecarboxamide
PubChem CID110401907
Molecular FormulaC11H12F3N5OS
Molecular Weight319.31 g/mol
Exact Mass319.07
IUPAC NameN-[2-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]ethyl]cyclobutanecarboxamide
SMILESO=C(NCCc1nn2c(C(F)(F)F)nnc2s1)C1CCC1
InChIInChI=1S/C11H12F3N5OS/c12-11(13,14)9-16-17-10-19(9)18-7(21-10)4-5-15-8(20)6-2-1-3-6/h6H,1-5H2,(H,15,20)
InChIKeyQOQGJMJZKFUDNB-UHFFFAOYSA-N
XLogP1.66
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.31
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]ethyl]cyclobutanecarboxamide?
The IUPAC name of N-[2-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]ethyl]cyclobutanecarboxamide (CID 110401907) is N-[2-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]ethyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[2-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]ethyl]cyclobutanecarboxamide?
The canonical SMILES for N-[2-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]ethyl]cyclobutanecarboxamide is O=C(NCCc1nn2c(C(F)(F)F)nnc2s1)C1CCC1.
What is the InChIKey of N-[2-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]ethyl]cyclobutanecarboxamide?
The InChIKey is QOQGJMJZKFUDNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N5OS/c12-11(13,14)9-16-17-10-19(9)18-7(21-10)4-5-15-8(20)6-2-1-3-6/h6H,1-5H2,(H,15,20).
What are the key properties of N-[2-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]ethyl]cyclobutanecarboxamide?
N-[2-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]ethyl]cyclobutanecarboxamide has a molecular weight of 319.31 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]ethyl]cyclobutanecarboxamide is sourced from PubChem (CID 110401907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).