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Also known as: 937263-71-3, Mfcd28977540, 3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)aniline, 4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)-3-methylbenzenamine, 3-methyl-4-{[1,2,4]triazolo[1,5-a]pyridin-7-yloxy}aniline, Schembl1192195
Molecular Formula
C13H12N4O
Molecular Weight
240.26  g/mol
InChI Key
DFMSLMUVJUMZPA-UHFFFAOYSA-N

937263-71-3
1 2D Structure

937263-71-3

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 Weight 240.26 g/mol
Molecular Formula C13H12N4O
XLogP32
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass240.10111102 g/mol
Monoisotopic Mass240.10111102 g/mol
Topological Polar Surface Area65.4 Ų
Heavy Atom Count18
Formal Charge0
Complexity288
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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