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

C10H10F3N5OS — CID 110401999

IUPACN-[[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]methyl]cyclobutanecarboxamide
SMILESO=C(NCc1nn2c(C(F)(F)F)nnc2s1)C1CCC1
InChIInChI=1S/C10H10F3N5OS/c11-10(12,13)8-15-16-9-18(8)17-6(20-9)4-14-7(19)5-2-1-3-5/h5H,1-4H2,(H,14,19)
InChIKeyZJICDKDMEASEFT-UHFFFAOYSA-N
MW305.29 g/mol
LogP1.62
Rot. Bonds3

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

N-[[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]methyl]cyclobutanecarboxamide (PubChem CID 110401999) has the molecular formula C10H10F3N5OS and a molecular weight of 305.29 g/mol. Its IUPAC name is N-[[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]methyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]methyl]cyclobutanecarboxamide
PubChem CID110401999
Molecular FormulaC10H10F3N5OS
Molecular Weight305.29 g/mol
Exact Mass305.06
IUPAC NameN-[[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]methyl]cyclobutanecarboxamide
SMILESO=C(NCc1nn2c(C(F)(F)F)nnc2s1)C1CCC1
InChIInChI=1S/C10H10F3N5OS/c11-10(12,13)8-15-16-9-18(8)17-6(20-9)4-14-7(19)5-2-1-3-5/h5H,1-4H2,(H,14,19)
InChIKeyZJICDKDMEASEFT-UHFFFAOYSA-N
XLogP1.62
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.29
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]methyl]cyclobutanecarboxamide?
The IUPAC name of N-[[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]methyl]cyclobutanecarboxamide (CID 110401999) is N-[[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]methyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]methyl]cyclobutanecarboxamide?
The canonical SMILES for N-[[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]methyl]cyclobutanecarboxamide is O=C(NCc1nn2c(C(F)(F)F)nnc2s1)C1CCC1.
What is the InChIKey of N-[[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]methyl]cyclobutanecarboxamide?
The InChIKey is ZJICDKDMEASEFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N5OS/c11-10(12,13)8-15-16-9-18(8)17-6(20-9)4-14-7(19)5-2-1-3-5/h5H,1-4H2,(H,14,19).
What are the key properties of N-[[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]methyl]cyclobutanecarboxamide?
N-[[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]methyl]cyclobutanecarboxamide has a molecular weight of 305.29 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]methyl]cyclobutanecarboxamide is sourced from PubChem (CID 110401999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).