1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]-5-(triazol-2-yl)phenol

2.1.2 InChI

InChI=1S/C21H25N9O/c1-20(2)11-14(12-21(3,4)27-20)29-19-17(25-28-29)10-16(24-26-19)15-6-5-13(9-18(15)31)30-22-7-8-23-30/h5-10,14,27,31H,11-12H2,1-4H3

2.1.3 InChI Key

ICZNVPJUHBURBG-UHFFFAOYSA-N

2.2 Other Identifiers

2.2.1 UNII

D7EZ7B585X

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 2407849-89-0

2. Votoplam [inn]

3. Votoplam (usan/inn)

4. D7ez7b585x

5. Chembl4850295

6. Schembl23702142

7. Da-68631

8. Hy-156650

9. Cs-0887237

10. D12970

11. Phenol, 2-(3-(2,2,6,6-tetramethyl-4-piperidinyl)-3h-1,2,3-triazolo(4,5-c)pyridazin-6-yl)-5-(2h-1,2,3-triazol-2-yl)-

2.4 Create Date

2020-08-12

3 Chemical and Physical Properties

Molecular Formula	C₂₁H₂₅N₉O
Molecular Weight	419.5 g/mol
XLogP3	1.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	3
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	119
Heavy Atom Count	31
Formal Charge	0
Complexity	624
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

Votoplam