N-(2-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-5-(trifluoromethyl)thiophene-2-carboxamide

C16H13F3N4OS — CID 53190519

IUPACN-(2-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-5-(trifluoromethyl)thiophene-2-carboxamide
SMILESO=C(Nc1cccn2nc(C3CCC3)nc12)c1ccc(C(F)(F)F)s1
InChIInChI=1S/C16H13F3N4OS/c17-16(18,19)12-7-6-11(25-12)15(24)20-10-5-2-8-23-14(10)21-13(22-23)9-3-1-4-9/h2,5-9H,1,3-4H2,(H,20,24)
InChIKeyUZKQJJFUEJDXDD-UHFFFAOYSA-N
MW366.37 g/mol
LogP4.33
Rot. Bonds3

About N-(2-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-5-(trifluoromethyl)thiophene-2-carboxamide

N-(2-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-5-(trifluoromethyl)thiophene-2-carboxamide (PubChem CID 53190519) has the molecular formula C16H13F3N4OS and a molecular weight of 366.37 g/mol. Its IUPAC name is N-(2-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-5-(trifluoromethyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-5-(trifluoromethyl)thiophene-2-carboxamide
PubChem CID53190519
Molecular FormulaC16H13F3N4OS
Molecular Weight366.37 g/mol
Exact Mass366.08
IUPAC NameN-(2-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-5-(trifluoromethyl)thiophene-2-carboxamide
SMILESO=C(Nc1cccn2nc(C3CCC3)nc12)c1ccc(C(F)(F)F)s1
InChIInChI=1S/C16H13F3N4OS/c17-16(18,19)12-7-6-11(25-12)15(24)20-10-5-2-8-23-14(10)21-13(22-23)9-3-1-4-9/h2,5-9H,1,3-4H2,(H,20,24)
InChIKeyUZKQJJFUEJDXDD-UHFFFAOYSA-N
XLogP4.33
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-5-(trifluoromethyl)thiophene-2-carboxamide?
The IUPAC name of N-(2-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-5-(trifluoromethyl)thiophene-2-carboxamide (CID 53190519) is N-(2-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-5-(trifluoromethyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(2-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-5-(trifluoromethyl)thiophene-2-carboxamide?
The canonical SMILES for N-(2-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-5-(trifluoromethyl)thiophene-2-carboxamide is O=C(Nc1cccn2nc(C3CCC3)nc12)c1ccc(C(F)(F)F)s1.
What is the InChIKey of N-(2-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-5-(trifluoromethyl)thiophene-2-carboxamide?
The InChIKey is UZKQJJFUEJDXDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N4OS/c17-16(18,19)12-7-6-11(25-12)15(24)20-10-5-2-8-23-14(10)21-13(22-23)9-3-1-4-9/h2,5-9H,1,3-4H2,(H,20,24).
What are the key properties of N-(2-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-5-(trifluoromethyl)thiophene-2-carboxamide?
N-(2-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-5-(trifluoromethyl)thiophene-2-carboxamide has a molecular weight of 366.37 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-5-(trifluoromethyl)thiophene-2-carboxamide is sourced from PubChem (CID 53190519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).