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

C8H7F3N4 — CID 7131575

IUPAC[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanamine
SMILESNCc1nnc2ccc(C(F)(F)F)cn12
InChIInChI=1S/C8H7F3N4/c9-8(10,11)5-1-2-6-13-14-7(3-12)15(6)4-5/h1-2,4H,3,12H2
InChIKeyCVLCFENWSHXLIH-UHFFFAOYSA-N
MW216.17 g/mol
LogP1.21
Rot. Bonds1

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

[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanamine (PubChem CID 7131575) has the molecular formula C8H7F3N4 and a molecular weight of 216.17 g/mol. Its IUPAC name is [6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanamine.

Molecular Properties

Compound Name[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanamine
PubChem CID7131575
Molecular FormulaC8H7F3N4
Molecular Weight216.17 g/mol
Exact Mass216.06
IUPAC Name[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanamine
SMILESNCc1nnc2ccc(C(F)(F)F)cn12
InChIInChI=1S/C8H7F3N4/c9-8(10,11)5-1-2-6-13-14-7(3-12)15(6)4-5/h1-2,4H,3,12H2
InChIKeyCVLCFENWSHXLIH-UHFFFAOYSA-N
XLogP1.21
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.17
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanamine?
The IUPAC name of [6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanamine (CID 7131575) is [6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanamine.
What is the SMILES notation for [6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanamine?
The canonical SMILES for [6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanamine is NCc1nnc2ccc(C(F)(F)F)cn12.
What is the InChIKey of [6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanamine?
The InChIKey is CVLCFENWSHXLIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N4/c9-8(10,11)5-1-2-6-13-14-7(3-12)15(6)4-5/h1-2,4H,3,12H2.
What are the key properties of [6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanamine?
[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanamine has a molecular weight of 216.17 g/mol, XLogP of 1.21, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanamine is sourced from PubChem (CID 7131575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).