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

C9H13F3N4 — CID 83966812

IUPAC2-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethanamine
SMILESNCCc1nc2n(n1)CC(C(F)(F)F)CC2
InChIInChI=1S/C9H13F3N4/c10-9(11,12)6-1-2-8-14-7(3-4-13)15-16(8)5-6/h6H,1-5,13H2
InChIKeyDDMLHYAIVSTTLI-UHFFFAOYSA-N
MW234.22 g/mol
LogP0.90
Rot. Bonds2

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

2-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethanamine (PubChem CID 83966812) has the molecular formula C9H13F3N4 and a molecular weight of 234.22 g/mol. Its IUPAC name is 2-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethanamine.

Molecular Properties

Compound Name2-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethanamine
PubChem CID83966812
Molecular FormulaC9H13F3N4
Molecular Weight234.22 g/mol
Exact Mass234.11
IUPAC Name2-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethanamine
SMILESNCCc1nc2n(n1)CC(C(F)(F)F)CC2
InChIInChI=1S/C9H13F3N4/c10-9(11,12)6-1-2-8-14-7(3-4-13)15-16(8)5-6/h6H,1-5,13H2
InChIKeyDDMLHYAIVSTTLI-UHFFFAOYSA-N
XLogP0.90
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 ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethanamine?
The IUPAC name of 2-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethanamine (CID 83966812) is 2-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethanamine.
What is the SMILES notation for 2-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethanamine?
The canonical SMILES for 2-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethanamine is NCCc1nc2n(n1)CC(C(F)(F)F)CC2.
What is the InChIKey of 2-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethanamine?
The InChIKey is DDMLHYAIVSTTLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4/c10-9(11,12)6-1-2-8-14-7(3-4-13)15-16(8)5-6/h6H,1-5,13H2.
What are the key properties of 2-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethanamine?
2-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethanamine has a molecular weight of 234.22 g/mol, XLogP of 0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethanamine is sourced from PubChem (CID 83966812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).