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Also known as: 1033810-70-6, 3h-[1,2,4]triazolo[1,5-a]pyridin-7-one, Mfcd22394734, 3h,7h-[1,2,4]triazolo[1,5-a]pyridin-7-one, 7-hydroxy-[1,2,4]triazolo[1,5-a]pyridine, Schembl1192186
Molecular Formula
C6H5N3O
Molecular Weight
135.12  g/mol
InChI Key
BABOSZMRHSQJCE-UHFFFAOYSA-N

CAS 1033810-70-6
1 2D Structure

CAS 1033810-70-6

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
3H-[1,2,4]triazolo[1,5-a]pyridin-7-one
2.1.2 InChI
InChI=1S/C6H5N3O/c10-5-1-2-9-6(3-5)7-4-8-9/h1-4H,(H,7,8)
2.1.3 InChI Key
BABOSZMRHSQJCE-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CN2C(=CC1=O)N=CN2
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 1033810-70-6

2. 3h-[1,2,4]triazolo[1,5-a]pyridin-7-one

3. Mfcd22394734

4. 3h,7h-[1,2,4]triazolo[1,5-a]pyridin-7-one

5. 7-hydroxy-[1,2,4]triazolo[1,5-a]pyridine

6. Schembl1192186

7. Zinc18543433

8. Akos023556544

9. Sb21234

10. As-61710

11. Sy056792

12. [1,2,4]-triazolo[1,5-a]pyridin-7-ol

13. Cs-0084736

14. A896476

2.3 Create Date
2012-11-30
3 Chemical and Physical Properties
Molecular Weight 135.12 g/mol
Molecular Formula C6H5N3O
XLogP3-0.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass135.043261791 g/mol
Monoisotopic Mass135.043261791 g/mol
Topological Polar Surface Area44.7 Ų
Heavy Atom Count10
Formal Charge0
Complexity264
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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