Home Other Building Blocks 1,2,4-Triazolo[3,4-a]phthalazine

1,2,4-Triazolo[3,4-a]phthalazine

CAS No.:
234-80-0
Catalog Number:
AG002N3Y
Molecular Formula:
C9H6N4
Molecular Weight:
170.1707
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Product Description
Catalog Number:
AG002N3Y
Chemical Name:
1,2,4-Triazolo[3,4-a]phthalazine
CAS Number:
234-80-0
Molecular Formula:
C9H6N4
Molecular Weight:
170.1707
MDL Number:
MFCD01320468
IUPAC Name:
[1,2,4]triazolo[3,4-a]phthalazine
InChI:
InChI=1S/C9H6N4/c1-2-4-8-7(3-1)5-11-13-6-10-12-9(8)13/h1-6H
InChI Key:
JVJPJKLSGUJUJK-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)c1nncn1nc2
NSC Number:
116341
Properties
Complexity:
196  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.059g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.175g/mol
Monoisotopic Mass:
170.059g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Literature
Title Journal
Identification and synthesis of [1,2,4]triazolo[3,4-a]phthalazine derivatives as high-affinity ligands to the alpha 2 delta-1 subunit of voltage gated calcium channel. Bioorganic & medicinal chemistry letters 20040517
A novel methylthio metabolite of s-triazolo[3,4-a]phthalazine, a lead compound for the development of antianxiety drugs, in rats. Life sciences 20031121
A new fluorimetric method for the determination of formaldehyde in air based on the liquid droplet sampling technique. The Analyst 20010101
Properties