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7639-56-7

7639-56-7 | 3-methyl[1,2,4]triazolo[3,4-a]isoquinoline

CAS No: 7639-56-7 Catalog No: AG005CBR MDL No:

Product Description

Catalog Number:
AG005CBR
Chemical Name:
3-methyl[1,2,4]triazolo[3,4-a]isoquinoline
CAS Number:
7639-56-7
Molecular Formula:
C11H9N3
Molecular Weight:
183.2093
IUPAC Name:
3-methyl-[1,2,4]triazolo[3,4-a]isoquinoline
InChI:
InChI=1S/C11H9N3/c1-8-12-13-11-10-5-3-2-4-9(10)6-7-14(8)11/h2-7H,1H3
InChI Key:
WADQLNMZPPBEDM-UHFFFAOYSA-N
SMILES:
Cc1nnc2n1ccc1c2cccc1
NSC Number:
103133

Properties

Complexity:
219  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.08g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
183.214g/mol
Monoisotopic Mass:
183.08g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
30.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  

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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