2-[2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanamine

C9H13F3N4 — CID 83865984

IUPAC2-[2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanamine
SMILESNCCC1CCn2nc(C(F)(F)F)nc2C1
InChIInChI=1S/C9H13F3N4/c10-9(11,12)8-14-7-5-6(1-3-13)2-4-16(7)15-8/h6H,1-5,13H2
InChIKeyQWVMWYFUBMBXMU-UHFFFAOYSA-N
MW234.22 g/mol
LogP1.21
Rot. Bonds2

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

2-[2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanamine (PubChem CID 83865984) has the molecular formula C9H13F3N4 and a molecular weight of 234.22 g/mol. Its IUPAC name is 2-[2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanamine.

Molecular Properties

Compound Name2-[2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanamine
PubChem CID83865984
Molecular FormulaC9H13F3N4
Molecular Weight234.22 g/mol
Exact Mass234.11
IUPAC Name2-[2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanamine
SMILESNCCC1CCn2nc(C(F)(F)F)nc2C1
InChIInChI=1S/C9H13F3N4/c10-9(11,12)8-14-7-5-6(1-3-13)2-4-16(7)15-8/h6H,1-5,13H2
InChIKeyQWVMWYFUBMBXMU-UHFFFAOYSA-N
XLogP1.21
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanamine with MolForge

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Related Compounds

(2-cyclopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)methanamine
CID 82567991
2-(2,3-dimethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)ethanamine
CID 83865620
[2-(2-methylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]methanamine
CID 83866001
2-(3-bromo-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)ethanamine
CID 83693497
[2-(4-tert-butylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]methanamine
CID 82568015
N-methyl-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanamine
CID 83866053
7-(3,3-dimethylbutyl)-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine
CID 67977973
(5S)-2-methyl-5-[2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]cyclohexan-1-amine
CID 143170674
1-[2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]ethanamine
CID 83866057
1-(2-cyclopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)propan-2-amine
CID 83865979
2-(1-phosphanylpiperidin-4-yl)ethanamine
CID 118531891
2-(3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)ethanamine
CID 83865240

Frequently Asked Questions

What is the IUPAC name of 2-[2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanamine?
The IUPAC name of 2-[2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanamine (CID 83865984) is 2-[2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanamine.
What is the SMILES notation for 2-[2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanamine?
The canonical SMILES for 2-[2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanamine is NCCC1CCn2nc(C(F)(F)F)nc2C1.
What is the InChIKey of 2-[2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanamine?
The InChIKey is QWVMWYFUBMBXMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4/c10-9(11,12)8-14-7-5-6(1-3-13)2-4-16(7)15-8/h6H,1-5,13H2.
What are the key properties of 2-[2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanamine?
2-[2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanamine has a molecular weight of 234.22 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanamine is sourced from PubChem (CID 83865984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).