N-[6-[4-fluoro-3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide

C15H10F4N4O — CID 25130764

IUPACN-[6-[4-fluoro-3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide
SMILESCC(=O)Nc1nc2ccc(-c3ccc(F)c(C(F)(F)F)c3)cn2n1
InChIInChI=1S/C15H10F4N4O/c1-8(24)20-14-21-13-5-3-10(7-23(13)22-14)9-2-4-12(16)11(6-9)15(17,18)19/h2-7H,1H3,(H,20,22,24)
InChIKeyRPILCCJJHXEPAU-UHFFFAOYSA-N
MW338.26 g/mol
LogP3.51
Rot. Bonds2

About N-[6-[4-fluoro-3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide

N-[6-[4-fluoro-3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide (PubChem CID 25130764) has the molecular formula C15H10F4N4O and a molecular weight of 338.26 g/mol. Its IUPAC name is N-[6-[4-fluoro-3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide.

Molecular Properties

Compound NameN-[6-[4-fluoro-3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide
PubChem CID25130764
Molecular FormulaC15H10F4N4O
Molecular Weight338.26 g/mol
Exact Mass338.08
IUPAC NameN-[6-[4-fluoro-3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide
SMILESCC(=O)Nc1nc2ccc(-c3ccc(F)c(C(F)(F)F)c3)cn2n1
InChIInChI=1S/C15H10F4N4O/c1-8(24)20-14-21-13-5-3-10(7-23(13)22-14)9-2-4-12(16)11(6-9)15(17,18)19/h2-7H,1H3,(H,20,22,24)
InChIKeyRPILCCJJHXEPAU-UHFFFAOYSA-N
XLogP3.51
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.26
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[6-[4-fluoro-3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide?
The IUPAC name of N-[6-[4-fluoro-3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide (CID 25130764) is N-[6-[4-fluoro-3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide.
What is the SMILES notation for N-[6-[4-fluoro-3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide?
The canonical SMILES for N-[6-[4-fluoro-3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide is CC(=O)Nc1nc2ccc(-c3ccc(F)c(C(F)(F)F)c3)cn2n1.
What is the InChIKey of N-[6-[4-fluoro-3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide?
The InChIKey is RPILCCJJHXEPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F4N4O/c1-8(24)20-14-21-13-5-3-10(7-23(13)22-14)9-2-4-12(16)11(6-9)15(17,18)19/h2-7H,1H3,(H,20,22,24).
What are the key properties of N-[6-[4-fluoro-3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide?
N-[6-[4-fluoro-3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide has a molecular weight of 338.26 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-fluoro-3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide is sourced from PubChem (CID 25130764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).