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 Formula	C₆H₅N₃O
Molecular Weight	135.12 g/mol
XLogP3	-0.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	135.043261791 g/mol
Monoisotopic Mass	135.043261791 g/mol
Topological Polar Surface Area	44.7 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	264
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

CAS 1033810-70-6 manufacturers and suppliers on PharmaCompass