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

C11H11F3N4O — CID 1484231

IUPAC2-methyl-N-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propanamide
SMILESCC(C)C(=O)Nc1cccn2c(C(F)(F)F)nnc12
InChIInChI=1S/C11H11F3N4O/c1-6(2)9(19)15-7-4-3-5-18-8(7)16-17-10(18)11(12,13)14/h3-6H,1-2H3,(H,15,19)
InChIKeySIRCPDYMTNEMCY-UHFFFAOYSA-N
MW272.23 g/mol
LogP2.34
Rot. Bonds2

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

2-methyl-N-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propanamide (PubChem CID 1484231) has the molecular formula C11H11F3N4O and a molecular weight of 272.23 g/mol. Its IUPAC name is 2-methyl-N-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propanamide
PubChem CID1484231
Molecular FormulaC11H11F3N4O
Molecular Weight272.23 g/mol
Exact Mass272.09
IUPAC Name2-methyl-N-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propanamide
SMILESCC(C)C(=O)Nc1cccn2c(C(F)(F)F)nnc12
InChIInChI=1S/C11H11F3N4O/c1-6(2)9(19)15-7-4-3-5-18-8(7)16-17-10(18)11(12,13)14/h3-6H,1-2H3,(H,15,19)
InChIKeySIRCPDYMTNEMCY-UHFFFAOYSA-N
XLogP2.34
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.23
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propanamide?
The IUPAC name of 2-methyl-N-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propanamide (CID 1484231) is 2-methyl-N-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propanamide.
What is the SMILES notation for 2-methyl-N-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propanamide?
The canonical SMILES for 2-methyl-N-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propanamide is CC(C)C(=O)Nc1cccn2c(C(F)(F)F)nnc12.
What is the InChIKey of 2-methyl-N-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propanamide?
The InChIKey is SIRCPDYMTNEMCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N4O/c1-6(2)9(19)15-7-4-3-5-18-8(7)16-17-10(18)11(12,13)14/h3-6H,1-2H3,(H,15,19).
What are the key properties of 2-methyl-N-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propanamide?
2-methyl-N-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propanamide has a molecular weight of 272.23 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propanamide is sourced from PubChem (CID 1484231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).