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

C12H13F3N4O — CID 1484232

IUPAC2,2-dimethyl-N-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propanamide
SMILESCC(C)(C)C(=O)Nc1cccn2c(C(F)(F)F)nnc12
InChIInChI=1S/C12H13F3N4O/c1-11(2,3)10(20)16-7-5-4-6-19-8(7)17-18-9(19)12(13,14)15/h4-6H,1-3H3,(H,16,20)
InChIKeyGFZUGEFYUYMZAL-UHFFFAOYSA-N
MW286.26 g/mol
LogP2.73
Rot. Bonds1

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

2,2-dimethyl-N-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propanamide (PubChem CID 1484232) has the molecular formula C12H13F3N4O and a molecular weight of 286.26 g/mol. Its IUPAC name is 2,2-dimethyl-N-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propanamide
PubChem CID1484232
Molecular FormulaC12H13F3N4O
Molecular Weight286.26 g/mol
Exact Mass286.10
IUPAC Name2,2-dimethyl-N-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propanamide
SMILESCC(C)(C)C(=O)Nc1cccn2c(C(F)(F)F)nnc12
InChIInChI=1S/C12H13F3N4O/c1-11(2,3)10(20)16-7-5-4-6-19-8(7)17-18-9(19)12(13,14)15/h4-6H,1-3H3,(H,16,20)
InChIKeyGFZUGEFYUYMZAL-UHFFFAOYSA-N
XLogP2.73
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.26
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propanamide (CID 1484232) is 2,2-dimethyl-N-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propanamide is CC(C)(C)C(=O)Nc1cccn2c(C(F)(F)F)nnc12.
What is the InChIKey of 2,2-dimethyl-N-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propanamide?
The InChIKey is GFZUGEFYUYMZAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N4O/c1-11(2,3)10(20)16-7-5-4-6-19-8(7)17-18-9(19)12(13,14)15/h4-6H,1-3H3,(H,16,20).
What are the key properties of 2,2-dimethyl-N-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propanamide?
2,2-dimethyl-N-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propanamide has a molecular weight of 286.26 g/mol, XLogP of 2.73, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propanamide is sourced from PubChem (CID 1484232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).