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18591-71-4

18591-71-4 | 6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-8-ol

CAS No: 18591-71-4 Catalog No: AG00IT2B MDL No:MFCD02186114

Product Description

Catalog Number:
AG00IT2B
Chemical Name:
6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-8-ol
CAS Number:
18591-71-4
Molecular Formula:
C11H8N4O
Molecular Weight:
212.2074
MDL Number:
MFCD02186114
IUPAC Name:
6-phenyl-5H-[1,2,4]triazolo[4,3-b]pyridazin-8-one
InChI:
InChI=1S/C11H8N4O/c16-10-6-9(8-4-2-1-3-5-8)14-15-7-12-13-11(10)15/h1-7,14H
InChI Key:
CXZFEQORZDGYOV-UHFFFAOYSA-N
SMILES:
Oc1cc(nn2c1nnc2)c1ccccc1
EC Number:
242-429-8

Properties

Complexity:
322  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.07g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
212.212g/mol
Monoisotopic Mass:
212.07g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
59.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  

Literature

Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

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