2,4-difluoro-5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)aniline

C12H8F2N4 — CID 54924253

IUPAC2,4-difluoro-5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)aniline
SMILESNc1cc(-c2nnc3ccccn23)c(F)cc1F
InChIInChI=1S/C12H8F2N4/c13-8-6-9(14)10(15)5-7(8)12-17-16-11-3-1-2-4-18(11)12/h1-6H,15H2
InChIKeyULGPZCZFORZTNN-UHFFFAOYSA-N
MW246.22 g/mol
LogP2.26
Rot. Bonds1

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

2,4-difluoro-5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)aniline (PubChem CID 54924253) has the molecular formula C12H8F2N4 and a molecular weight of 246.22 g/mol. Its IUPAC name is 2,4-difluoro-5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)aniline.

Molecular Properties

Compound Name2,4-difluoro-5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)aniline
PubChem CID54924253
Molecular FormulaC12H8F2N4
Molecular Weight246.22 g/mol
Exact Mass246.07
IUPAC Name2,4-difluoro-5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)aniline
SMILESNc1cc(-c2nnc3ccccn23)c(F)cc1F
InChIInChI=1S/C12H8F2N4/c13-8-6-9(14)10(15)5-7(8)12-17-16-11-3-1-2-4-18(11)12/h1-6H,15H2
InChIKeyULGPZCZFORZTNN-UHFFFAOYSA-N
XLogP2.26
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.22
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)aniline?
The IUPAC name of 2,4-difluoro-5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)aniline (CID 54924253) is 2,4-difluoro-5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)aniline.
What is the SMILES notation for 2,4-difluoro-5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)aniline?
The canonical SMILES for 2,4-difluoro-5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)aniline is Nc1cc(-c2nnc3ccccn23)c(F)cc1F.
What is the InChIKey of 2,4-difluoro-5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)aniline?
The InChIKey is ULGPZCZFORZTNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F2N4/c13-8-6-9(14)10(15)5-7(8)12-17-16-11-3-1-2-4-18(11)12/h1-6H,15H2.
What are the key properties of 2,4-difluoro-5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)aniline?
2,4-difluoro-5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)aniline has a molecular weight of 246.22 g/mol, XLogP of 2.26, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)aniline is sourced from PubChem (CID 54924253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).