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915926-66-8

915926-66-8 | 2-{3-methyl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl}-1,2,3,4-tetrahydroisoquinoline

CAS No: 915926-66-8 Catalog No: AG01B955 MDL No:MFCD09039402

Product Description

Catalog Number:
AG01B955
Chemical Name:
2-{3-methyl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl}-1,2,3,4-tetrahydroisoquinoline
CAS Number:
915926-66-8
Molecular Formula:
C19H17N5
Molecular Weight:
315.3718
MDL Number:
MFCD09039402
IUPAC Name:
6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methyl-[1,2,4]triazolo[3,4-a]phthalazine
InChI:
InChI=1S/C19H17N5/c1-13-20-21-18-16-8-4-5-9-17(16)19(22-24(13)18)23-11-10-14-6-2-3-7-15(14)12-23/h2-9H,10-12H2,1H3
InChI Key:
NMJYSGXBNVGFPT-UHFFFAOYSA-N
SMILES:
Cc1nnc2n1nc(N1CCc3c(C1)cccc3)c1c2cccc1

Properties

Complexity:
457  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.148g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
315.38g/mol
Monoisotopic Mass:
315.148g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
46.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  

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