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

C7H5F3N4 — CID 58136996

IUPAC6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-amine
SMILESNc1nnc2ccc(C(F)(F)F)cn12
InChIInChI=1S/C7H5F3N4/c8-7(9,10)4-1-2-5-12-13-6(11)14(5)3-4/h1-3H,(H2,11,13)
InChIKeyFYYHQALGUZDERU-UHFFFAOYSA-N
MW202.14 g/mol
LogP1.33
Rot. Bonds

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

6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-amine (PubChem CID 58136996) has the molecular formula C7H5F3N4 and a molecular weight of 202.14 g/mol. Its IUPAC name is 6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-amine.

Molecular Properties

Compound Name6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-amine
PubChem CID58136996
Molecular FormulaC7H5F3N4
Molecular Weight202.14 g/mol
Exact Mass202.05
IUPAC Name6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-amine
SMILESNc1nnc2ccc(C(F)(F)F)cn12
InChIInChI=1S/C7H5F3N4/c8-7(9,10)4-1-2-5-12-13-6(11)14(5)3-4/h1-3H,(H2,11,13)
InChIKeyFYYHQALGUZDERU-UHFFFAOYSA-N
XLogP1.33
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.14
LogP ≤ 51.33
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-amine?
The IUPAC name of 6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-amine (CID 58136996) is 6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-amine.
What is the SMILES notation for 6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-amine?
The canonical SMILES for 6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-amine is Nc1nnc2ccc(C(F)(F)F)cn12.
What is the InChIKey of 6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-amine?
The InChIKey is FYYHQALGUZDERU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3N4/c8-7(9,10)4-1-2-5-12-13-6(11)14(5)3-4/h1-3H,(H2,11,13).
What are the key properties of 6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-amine?
6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-amine has a molecular weight of 202.14 g/mol, XLogP of 1.33, 0 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-amine is sourced from PubChem (CID 58136996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).