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28682-94-2,MFCD29071910
Catalog No.:AA002VZN

28682-94-2 | 1H-Imidazo[4,5-d]pyridazin-7(6H)-one

This product is typically in stock,please click "Inquire" below or
contact us at [email protected] for pricing and availability information.
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA002VZN
Chemical Name:
1H-Imidazo[4,5-d]pyridazin-7(6H)-one
CAS Number:
28682-94-2
Molecular Formula:
C5H4N4O
Molecular Weight:
136.1115
MDL Number:
MFCD29071910
SMILES:
O=c1[nH]ncc2c1[nH]cn2
NSC Number:
19452
Properties
Computed Properties
 
Complexity:
190  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0  
Rotatable Bond Count:
0  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
-0.5  

Literature

Title: Structure-activity relationships for the binding of ligands to xanthine or guanine phosphoribosyl-transferase from Toxoplasma gondii.

Journal: Biochemical pharmacology 19951109

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Tags:28682-94-2 Molecular Formula|28682-94-2 MDL|28682-94-2 SMILES|28682-94-2 1H-Imidazo[4,5-d]pyridazin-7(6H)-one
Catalog No.: AA002VZN
28682-94-2,MFCD29071910
28682-94-2 | 1H-Imidazo[4,5-d]pyridazin-7(6H)-one
This product is typically in stock,please click "Inquire" below or contact us at [email protected]for pricing and availability information.
Inquire
Technical Information
Catalog Number: AA002VZN
Chemical Name: 1H-Imidazo[4,5-d]pyridazin-7(6H)-one
CAS Number: 28682-94-2
Molecular Formula: C5H4N4O
Molecular Weight: 136.1115
MDL Number: MFCD29071910
SMILES: O=c1[nH]ncc2c1[nH]cn2
NSC Number: 19452
Properties
Complexity: 190  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 10  
Hydrogen Bond Acceptor Count: 3  
Hydrogen Bond Donor Count: 2  
Isotope Atom Count: 0  
Rotatable Bond Count: 0  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: -0.5  
Literature fold

Title: Structure-activity relationships for the binding of ligands to xanthine or guanine phosphoribosyl-transferase from Toxoplasma gondii.

Journal: Biochemical pharmacology19951109

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