937263-71-3

1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

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

2.1.2 InChI

InChI=1S/C13H12N4O/c1-9-6-10(14)2-3-12(9)18-11-4-5-17-13(7-11)15-8-16-17/h2-8H,14H2,1H3

2.1.3 InChI Key

DFMSLMUVJUMZPA-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=C(C=CC(=C1)N)OC2=CC3=NC=NN3C=C2

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 937263-71-3

2. Mfcd28977540

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

4. 4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)-3-methylbenzenamine

5. 3-methyl-4-{[1,2,4]triazolo[1,5-a]pyridin-7-yloxy}aniline

6. Schembl1192195

7. Akos026674005

8. At27623

9. Sb18464

10. Bs-50410

11. Sy274772

2.3 Create Date

2012-11-30

3 Chemical and Physical Properties

Molecular Formula	C₁₃H₁₂N₄O
Molecular Weight	240.26 g/mol
XLogP3	2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	240.10111102 g/mol
Monoisotopic Mass	240.10111102 g/mol
Topological Polar Surface Area	65.4 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	288
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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