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

C12H9FN4 — CID 83967082

IUPAC4-(8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)aniline
SMILESNc1ccc(-c2nc3c(F)cccn3n2)cc1
InChIInChI=1S/C12H9FN4/c13-10-2-1-7-17-12(10)15-11(16-17)8-3-5-9(14)6-4-8/h1-7H,14H2
InChIKeySWVLIQGEYFUQET-UHFFFAOYSA-N
MW228.23 g/mol
LogP2.12
Rot. Bonds1

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

4-(8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)aniline (PubChem CID 83967082) has the molecular formula C12H9FN4 and a molecular weight of 228.23 g/mol. Its IUPAC name is 4-(8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)aniline.

Molecular Properties

Compound Name4-(8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)aniline
PubChem CID83967082
Molecular FormulaC12H9FN4
Molecular Weight228.23 g/mol
Exact Mass228.08
IUPAC Name4-(8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)aniline
SMILESNc1ccc(-c2nc3c(F)cccn3n2)cc1
InChIInChI=1S/C12H9FN4/c13-10-2-1-7-17-12(10)15-11(16-17)8-3-5-9(14)6-4-8/h1-7H,14H2
InChIKeySWVLIQGEYFUQET-UHFFFAOYSA-N
XLogP2.12
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.23
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-methylaniline
CID 83967080
4-(8-ethoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)aniline
CID 83967055
6-fluoro-2-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine
CID 83965118
8-chloro-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine
CID 117137892
4-[4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]aniline
CID 145420547
4-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)aniline
CID 82566323
2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 82565550
4-[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]aniline
CID 118084865
2-(2-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 82565554
2-ethoxy-5-(8-ethoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)aniline
CID 83967051
2-(3,4-dichlorophenyl)-8-methyl-[1,2,4]triazolo[1,5-a]pyridine
CID 82566300
8-methoxy-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine
CID 117137886

Frequently Asked Questions

What is the IUPAC name of 4-(8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)aniline?
The IUPAC name of 4-(8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)aniline (CID 83967082) is 4-(8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)aniline.
What is the SMILES notation for 4-(8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)aniline?
The canonical SMILES for 4-(8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)aniline is Nc1ccc(-c2nc3c(F)cccn3n2)cc1.
What is the InChIKey of 4-(8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)aniline?
The InChIKey is SWVLIQGEYFUQET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN4/c13-10-2-1-7-17-12(10)15-11(16-17)8-3-5-9(14)6-4-8/h1-7H,14H2.
What are the key properties of 4-(8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)aniline?
4-(8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)aniline has a molecular weight of 228.23 g/mol, XLogP of 2.12, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)aniline is sourced from PubChem (CID 83967082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).