2,2,2-trifluoro-N-(6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)acetamide

C9H11F3N4O — CID 110455668

IUPAC2,2,2-trifluoro-N-(6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)acetamide
SMILESCC1CCc2nc(NC(=O)C(F)(F)F)nn2C1
InChIInChI=1S/C9H11F3N4O/c1-5-2-3-6-13-8(15-16(6)4-5)14-7(17)9(10,11)12/h5H,2-4H2,1H3,(H,14,15,17)
InChIKeyQASWXXMSHCCPAW-UHFFFAOYSA-N
MW248.21 g/mol
LogP1.36
Rot. Bonds1

About 2,2,2-trifluoro-N-(6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)acetamide

2,2,2-trifluoro-N-(6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)acetamide (PubChem CID 110455668) has the molecular formula C9H11F3N4O and a molecular weight of 248.21 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)acetamide
PubChem CID110455668
Molecular FormulaC9H11F3N4O
Molecular Weight248.21 g/mol
Exact Mass248.09
IUPAC Name2,2,2-trifluoro-N-(6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)acetamide
SMILESCC1CCc2nc(NC(=O)C(F)(F)F)nn2C1
InChIInChI=1S/C9H11F3N4O/c1-5-2-3-6-13-8(15-16(6)4-5)14-7(17)9(10,11)12/h5H,2-4H2,1H3,(H,14,15,17)
InChIKeyQASWXXMSHCCPAW-UHFFFAOYSA-N
XLogP1.36
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.21
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,5-dimethyl-1H-1,2,4-triazol-3-yl)-3-(trifluoromethyl)piperidine-1-carboxamide
CID 45236235
3-(Trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide
CID 131737192
6-(Trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide
CID 132182489
N-methyl-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]methanamine
CID 83865967
N-methyl-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]methanamine
CID 83866012
N-methyl-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanamine
CID 83866053
3-[6-(Trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]propan-1-amine
CID 83966813
3-[8-(Trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]propan-1-amine
CID 83966873
2,2,2-trifluoro-N-[6-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide
CID 110455739
N-[6-(dimethylamino)-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,2,2-trifluoroacetamide
CID 110455745
3,3-difluoro-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrrolidine-1-carboxamide
CID 128641999
N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-3-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
CID 128858506

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)acetamide (CID 110455668) is 2,2,2-trifluoro-N-(6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)acetamide is CC1CCc2nc(NC(=O)C(F)(F)F)nn2C1.
What is the InChIKey of 2,2,2-trifluoro-N-(6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)acetamide?
The InChIKey is QASWXXMSHCCPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N4O/c1-5-2-3-6-13-8(15-16(6)4-5)14-7(17)9(10,11)12/h5H,2-4H2,1H3,(H,14,15,17).
What are the key properties of 2,2,2-trifluoro-N-(6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)acetamide?
2,2,2-trifluoro-N-(6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)acetamide has a molecular weight of 248.21 g/mol, XLogP of 1.36, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)acetamide is sourced from PubChem (CID 110455668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).