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

C8H11F3N4 — CID 83866488

IUPAC[3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methanamine
SMILESNCC1CCCc2nnc(C(F)(F)F)n21
InChIInChI=1S/C8H11F3N4/c9-8(10,11)7-14-13-6-3-1-2-5(4-12)15(6)7/h5H,1-4,12H2
InChIKeyOPZRIRBOSYYKKP-UHFFFAOYSA-N
MW220.20 g/mol
LogP1.13
Rot. Bonds1

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

[3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methanamine (PubChem CID 83866488) has the molecular formula C8H11F3N4 and a molecular weight of 220.20 g/mol. Its IUPAC name is [3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methanamine.

Molecular Properties

Compound Name[3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methanamine
PubChem CID83866488
Molecular FormulaC8H11F3N4
Molecular Weight220.20 g/mol
Exact Mass220.09
IUPAC Name[3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methanamine
SMILESNCC1CCCc2nnc(C(F)(F)F)n21
InChIInChI=1S/C8H11F3N4/c9-8(10,11)7-14-13-6-3-1-2-5(4-12)15(6)7/h5H,1-4,12H2
InChIKeyOPZRIRBOSYYKKP-UHFFFAOYSA-N
XLogP1.13
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.20
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methanamine with MolForge

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Related Compounds

(3-cyclobutyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-yl)methanamine
CID 83866489
(3-chloro-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-5-yl)methanamine
CID 83869944
3-tert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-5-carbaldehyde
CID 83883349
(2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-yl)methanamine
CID 83867313
(3-chloro-2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-5-yl)methanamine
CID 83869946
[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-2-yl]methanamine
CID 106950588
(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-yl)methanol
CID 117149677
3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-c]pyrimidine;hydrochloride
CID 170903718
2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]propan-1-amine
CID 64575504
[1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-2-yl]methanamine
CID 114449985
(3-cyclopropyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)methanamine
CID 83829886
1-(3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-yl)ethanamine
CID 112711497

Frequently Asked Questions

What is the IUPAC name of [3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methanamine?
The IUPAC name of [3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methanamine (CID 83866488) is [3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methanamine.
What is the SMILES notation for [3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methanamine?
The canonical SMILES for [3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methanamine is NCC1CCCc2nnc(C(F)(F)F)n21.
What is the InChIKey of [3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methanamine?
The InChIKey is OPZRIRBOSYYKKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N4/c9-8(10,11)7-14-13-6-3-1-2-5(4-12)15(6)7/h5H,1-4,12H2.
What are the key properties of [3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methanamine?
[3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methanamine has a molecular weight of 220.20 g/mol, XLogP of 1.13, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methanamine is sourced from PubChem (CID 83866488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).