2-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-5-yl]ethanamine

C9H9F3N4 — CID 83866669

IUPAC2-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-5-yl]ethanamine
SMILESNCCc1cccc2nnc(C(F)(F)F)n12
InChIInChI=1S/C9H9F3N4/c10-9(11,12)8-15-14-7-3-1-2-6(4-5-13)16(7)8/h1-3H,4-5,13H2
InChIKeyHYWSEAPPOMIAIH-UHFFFAOYSA-N
MW230.19 g/mol
LogP1.25
Rot. Bonds2

About 2-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-5-yl]ethanamine

2-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-5-yl]ethanamine (PubChem CID 83866669) has the molecular formula C9H9F3N4 and a molecular weight of 230.19 g/mol. Its IUPAC name is 2-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-5-yl]ethanamine.

Molecular Properties

Compound Name2-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-5-yl]ethanamine
PubChem CID83866669
Molecular FormulaC9H9F3N4
Molecular Weight230.19 g/mol
Exact Mass230.08
IUPAC Name2-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-5-yl]ethanamine
SMILESNCCc1cccc2nnc(C(F)(F)F)n12
InChIInChI=1S/C9H9F3N4/c10-9(11,12)8-15-14-7-3-1-2-6(4-5-13)16(7)8/h1-3H,4-5,13H2
InChIKeyHYWSEAPPOMIAIH-UHFFFAOYSA-N
XLogP1.25
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.19
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-5-yl]ethanamine?
The IUPAC name of 2-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-5-yl]ethanamine (CID 83866669) is 2-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-5-yl]ethanamine.
What is the SMILES notation for 2-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-5-yl]ethanamine?
The canonical SMILES for 2-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-5-yl]ethanamine is NCCc1cccc2nnc(C(F)(F)F)n12.
What is the InChIKey of 2-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-5-yl]ethanamine?
The InChIKey is HYWSEAPPOMIAIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N4/c10-9(11,12)8-15-14-7-3-1-2-6(4-5-13)16(7)8/h1-3H,4-5,13H2.
What are the key properties of 2-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-5-yl]ethanamine?
2-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-5-yl]ethanamine has a molecular weight of 230.19 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-5-yl]ethanamine is sourced from PubChem (CID 83866669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).