N-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]acetamide

C9H7F3N4O — CID 5110519

IUPACN-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]acetamide
SMILESCC(=O)Nc1cccn2c(C(F)(F)F)nnc12
InChIInChI=1S/C9H7F3N4O/c1-5(17)13-6-3-2-4-16-7(6)14-15-8(16)9(10,11)12/h2-4H,1H3,(H,13,17)
InChIKeyFEICTTCVWLUYOZ-UHFFFAOYSA-N
MW244.18 g/mol
LogP1.71
Rot. Bonds1

About N-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]acetamide

N-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]acetamide (PubChem CID 5110519) has the molecular formula C9H7F3N4O and a molecular weight of 244.18 g/mol. Its IUPAC name is N-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]acetamide.

Molecular Properties

Compound NameN-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]acetamide
PubChem CID5110519
Molecular FormulaC9H7F3N4O
Molecular Weight244.18 g/mol
Exact Mass244.06
IUPAC NameN-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]acetamide
SMILESCC(=O)Nc1cccn2c(C(F)(F)F)nnc12
InChIInChI=1S/C9H7F3N4O/c1-5(17)13-6-3-2-4-16-7(6)14-15-8(16)9(10,11)12/h2-4H,1H3,(H,13,17)
InChIKeyFEICTTCVWLUYOZ-UHFFFAOYSA-N
XLogP1.71
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.18
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]acetamide?
The IUPAC name of N-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]acetamide (CID 5110519) is N-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]acetamide.
What is the SMILES notation for N-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]acetamide?
The canonical SMILES for N-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]acetamide is CC(=O)Nc1cccn2c(C(F)(F)F)nnc12.
What is the InChIKey of N-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]acetamide?
The InChIKey is FEICTTCVWLUYOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N4O/c1-5(17)13-6-3-2-4-16-7(6)14-15-8(16)9(10,11)12/h2-4H,1H3,(H,13,17).
What are the key properties of N-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]acetamide?
N-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]acetamide has a molecular weight of 244.18 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]acetamide is sourced from PubChem (CID 5110519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).