2-fluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)aniline

C13H11FN4O — CID 146249323

IUPAC2-fluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)aniline
SMILESCc1c(Oc2ccn3ncnc3c2)ccc(N)c1F
InChIInChI=1S/C13H11FN4O/c1-8-11(3-2-10(15)13(8)14)19-9-4-5-18-12(6-9)16-7-17-18/h2-7H,15H2,1H3
InChIKeyXXHWTOXBLWGDBP-UHFFFAOYSA-N
MW258.26 g/mol
LogP2.55
Rot. Bonds2

About 2-fluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)aniline

2-fluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)aniline (PubChem CID 146249323) has the molecular formula C13H11FN4O and a molecular weight of 258.26 g/mol. Its IUPAC name is 2-fluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)aniline.

Molecular Properties

Compound Name2-fluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)aniline
PubChem CID146249323
Molecular FormulaC13H11FN4O
Molecular Weight258.26 g/mol
Exact Mass258.09
IUPAC Name2-fluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)aniline
SMILESCc1c(Oc2ccn3ncnc3c2)ccc(N)c1F
InChIInChI=1S/C13H11FN4O/c1-8-11(3-2-10(15)13(8)14)19-9-4-5-18-12(6-9)16-7-17-18/h2-7H,15H2,1H3
InChIKeyXXHWTOXBLWGDBP-UHFFFAOYSA-N
XLogP2.55
TPSA65.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.26
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[2-fluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]carbamate
CID 166543796
7-(2-chloro-4-methylphenoxy)-[1,2,4]triazolo[1,5-a]pyridine
CID 123894811
N-[2-fluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-6-piperidin-1-ylpyrido[3,2-d]pyrimidin-4-amine
CID 167269797
N-[2-fluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-N'-methyl-5-(methylideneamino)-2-methylsulfanylpyrimidine-4-carboximidamide
CID 175619075
5-fluoro-4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]quinazolin-6-ol
CID 155188332
CID 167552958
CID 167552958
4-methyl-2-nitro-5-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenol
CID 170907890
7-(3-fluoro-2-methyl-6-nitrophenoxy)-[1,2,4]triazolo[1,5-a]pyridine
CID 166029242
(3R)-1-[4-[2-fluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]pyrimido[5,4-d]pyrimidin-6-yl]-3-methylpyrrolidin-3-ol
CID 167318540
6-(3,6-diazabicyclo[3.1.1]heptan-6-yl)-N-[2-fluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrido[3,2-d]pyrimidin-4-amine
CID 175853126
6-(3,3-dimethylpiperazin-1-yl)-N-[2-fluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrimido[5,4-d]pyrimidin-4-amine;hydrochloride
CID 167629870
7-[(2-methylpropan-2-yl)oxy]-[1,2,4]triazolo[1,5-a]pyridine
CID 171444719

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)aniline?
The IUPAC name of 2-fluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)aniline (CID 146249323) is 2-fluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)aniline.
What is the SMILES notation for 2-fluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)aniline?
The canonical SMILES for 2-fluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)aniline is Cc1c(Oc2ccn3ncnc3c2)ccc(N)c1F.
What is the InChIKey of 2-fluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)aniline?
The InChIKey is XXHWTOXBLWGDBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN4O/c1-8-11(3-2-10(15)13(8)14)19-9-4-5-18-12(6-9)16-7-17-18/h2-7H,15H2,1H3.
What are the key properties of 2-fluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)aniline?
2-fluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)aniline has a molecular weight of 258.26 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)aniline is sourced from PubChem (CID 146249323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).