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

C8H11F3N4 — CID 83866039

IUPAC[2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanamine
SMILESNCC1CCc2nc(C(F)(F)F)nn2C1
InChIInChI=1S/C8H11F3N4/c9-8(10,11)7-13-6-2-1-5(3-12)4-15(6)14-7/h5H,1-4,12H2
InChIKeyQPQYXYNKQSDMLB-UHFFFAOYSA-N
MW220.20 g/mol
LogP0.82
Rot. Bonds1

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

[2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanamine (PubChem CID 83866039) has the molecular formula C8H11F3N4 and a molecular weight of 220.20 g/mol. Its IUPAC name is [2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanamine.

Molecular Properties

Compound Name[2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanamine
PubChem CID83866039
Molecular FormulaC8H11F3N4
Molecular Weight220.20 g/mol
Exact Mass220.09
IUPAC Name[2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanamine
SMILESNCC1CCc2nc(C(F)(F)F)nn2C1
InChIInChI=1S/C8H11F3N4/c9-8(10,11)7-13-6-2-1-5(3-12)4-15(6)14-7/h5H,1-4,12H2
InChIKeyQPQYXYNKQSDMLB-UHFFFAOYSA-N
XLogP0.82
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 ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanamine?
The IUPAC name of [2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanamine (CID 83866039) is [2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanamine.
What is the SMILES notation for [2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanamine?
The canonical SMILES for [2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanamine is NCC1CCc2nc(C(F)(F)F)nn2C1.
What is the InChIKey of [2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanamine?
The InChIKey is QPQYXYNKQSDMLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N4/c9-8(10,11)7-13-6-2-1-5(3-12)4-15(6)14-7/h5H,1-4,12H2.
What are the key properties of [2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanamine?
[2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanamine has a molecular weight of 220.20 g/mol, XLogP of 0.82, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanamine is sourced from PubChem (CID 83866039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).