5-(8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-methylaniline

C13H11FN4 — CID 83967080

IUPAC5-(8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-methylaniline
SMILESCc1ccc(-c2nc3c(F)cccn3n2)cc1N
InChIInChI=1S/C13H11FN4/c1-8-4-5-9(7-11(8)15)12-16-13-10(14)3-2-6-18(13)17-12/h2-7H,15H2,1H3
InChIKeyHJYVMIPLHOZAOX-UHFFFAOYSA-N
MW242.26 g/mol
LogP2.43
Rot. Bonds1

About 5-(8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-methylaniline

5-(8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-methylaniline (PubChem CID 83967080) has the molecular formula C13H11FN4 and a molecular weight of 242.26 g/mol. Its IUPAC name is 5-(8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-methylaniline.

Molecular Properties

Compound Name5-(8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-methylaniline
PubChem CID83967080
Molecular FormulaC13H11FN4
Molecular Weight242.26 g/mol
Exact Mass242.10
IUPAC Name5-(8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-methylaniline
SMILESCc1ccc(-c2nc3c(F)cccn3n2)cc1N
InChIInChI=1S/C13H11FN4/c1-8-4-5-9(7-11(8)15)12-16-13-10(14)3-2-6-18(13)17-12/h2-7H,15H2,1H3
InChIKeyHJYVMIPLHOZAOX-UHFFFAOYSA-N
XLogP2.43
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.26
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-(8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-methylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-methylaniline?
The IUPAC name of 5-(8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-methylaniline (CID 83967080) is 5-(8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-methylaniline.
What is the SMILES notation for 5-(8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-methylaniline?
The canonical SMILES for 5-(8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-methylaniline is Cc1ccc(-c2nc3c(F)cccn3n2)cc1N.
What is the InChIKey of 5-(8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-methylaniline?
The InChIKey is HJYVMIPLHOZAOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN4/c1-8-4-5-9(7-11(8)15)12-16-13-10(14)3-2-6-18(13)17-12/h2-7H,15H2,1H3.
What are the key properties of 5-(8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-methylaniline?
5-(8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-methylaniline has a molecular weight of 242.26 g/mol, XLogP of 2.43, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-methylaniline is sourced from PubChem (CID 83967080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).