5-(2,3,4-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C12H7F3N4 — CID 154268588

IUPAC5-(2,3,4-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESNc1nc2cccc(-c3ccc(F)c(F)c3F)n2n1
InChIInChI=1S/C12H7F3N4/c13-7-5-4-6(10(14)11(7)15)8-2-1-3-9-17-12(16)18-19(8)9/h1-5H,(H2,16,18)
InChIKeyFMUVLOLSARCVAV-UHFFFAOYSA-N
MW264.21 g/mol
LogP2.40
Rot. Bonds1

About 5-(2,3,4-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine

5-(2,3,4-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 154268588) has the molecular formula C12H7F3N4 and a molecular weight of 264.21 g/mol. Its IUPAC name is 5-(2,3,4-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name5-(2,3,4-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID154268588
Molecular FormulaC12H7F3N4
Molecular Weight264.21 g/mol
Exact Mass264.06
IUPAC Name5-(2,3,4-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESNc1nc2cccc(-c3ccc(F)c(F)c3F)n2n1
InChIInChI=1S/C12H7F3N4/c13-7-5-4-6(10(14)11(7)15)8-2-1-3-9-17-12(16)18-19(8)9/h1-5H,(H2,16,18)
InChIKeyFMUVLOLSARCVAV-UHFFFAOYSA-N
XLogP2.40
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.21
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3,4-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 5-(2,3,4-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 154268588) is 5-(2,3,4-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 5-(2,3,4-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 5-(2,3,4-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is Nc1nc2cccc(-c3ccc(F)c(F)c3F)n2n1.
What is the InChIKey of 5-(2,3,4-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is FMUVLOLSARCVAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F3N4/c13-7-5-4-6(10(14)11(7)15)8-2-1-3-9-17-12(16)18-19(8)9/h1-5H,(H2,16,18).
What are the key properties of 5-(2,3,4-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
5-(2,3,4-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 264.21 g/mol, XLogP of 2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3,4-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 154268588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).