N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]cyclopropanecarboxamide

C12H15F3N4O — CID 126851360

IUPACN-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]cyclopropanecarboxamide
SMILESO=C(NCc1nnc2n1CC(C(F)(F)F)CC2)C1CC1
InChIInChI=1S/C12H15F3N4O/c13-12(14,15)8-3-4-9-17-18-10(19(9)6-8)5-16-11(20)7-1-2-7/h7-8H,1-6H2,(H,16,20)
InChIKeyQANCTYPBYSIXOJ-UHFFFAOYSA-N
MW288.27 g/mol
LogP1.43
Rot. Bonds3

About N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]cyclopropanecarboxamide

N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]cyclopropanecarboxamide (PubChem CID 126851360) has the molecular formula C12H15F3N4O and a molecular weight of 288.27 g/mol. Its IUPAC name is N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]cyclopropanecarboxamide
PubChem CID126851360
Molecular FormulaC12H15F3N4O
Molecular Weight288.27 g/mol
Exact Mass288.12
IUPAC NameN-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]cyclopropanecarboxamide
SMILESO=C(NCc1nnc2n1CC(C(F)(F)F)CC2)C1CC1
InChIInChI=1S/C12H15F3N4O/c13-12(14,15)8-3-4-9-17-18-10(19(9)6-8)5-16-11(20)7-1-2-7/h7-8H,1-6H2,(H,16,20)
InChIKeyQANCTYPBYSIXOJ-UHFFFAOYSA-N
XLogP1.43
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-sulfanyl-N-[[7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]propanamide
CID 177681170
1-[4-(5,6,7,8-Tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]ethanone
CID 66509695
1-[3-(5,6,7,8-Tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]ethanone
CID 66509703
N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide
CID 47228579
2-cyclopentyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide
CID 47228592
1-Cyclohexyl-3-((6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl)urea
CID 119104832
6-oxo-N-((6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl)-1,4,5,6-tetrahydropyridazine-3-carboxamide
CID 121022018
N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2,2-difluoro-3-methylcyclopropane-1-carboxamide
CID 136531551
2-cyclopropyl-N,2-dimethyl-N-{[6-(trifluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl}propanamide
CID 132391835
1-ethyl-N-methyl-N-{[8-(trifluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl}cyclopropane-1-carboxamide
CID 136560297
3-amino-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-1-one
CID 64576939
piperidin-4-yl-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 64577695

Frequently Asked Questions

What is the IUPAC name of N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]cyclopropanecarboxamide?
The IUPAC name of N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]cyclopropanecarboxamide (CID 126851360) is N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]cyclopropanecarboxamide is O=C(NCc1nnc2n1CC(C(F)(F)F)CC2)C1CC1.
What is the InChIKey of N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]cyclopropanecarboxamide?
The InChIKey is QANCTYPBYSIXOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N4O/c13-12(14,15)8-3-4-9-17-18-10(19(9)6-8)5-16-11(20)7-1-2-7/h7-8H,1-6H2,(H,16,20).
What are the key properties of N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]cyclopropanecarboxamide?
N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]cyclopropanecarboxamide has a molecular weight of 288.27 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]cyclopropanecarboxamide is sourced from PubChem (CID 126851360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).