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120116-64-5

120116-64-5 | 1,2,4-Triazolo[3,4-a]phthalazin-3-amine, 6-phenyl-N-propyl-

CAS No: 120116-64-5 Catalog No: AG000QCC MDL No:

Product Description

Catalog Number:
AG000QCC
Chemical Name:
1,2,4-Triazolo[3,4-a]phthalazin-3-amine, 6-phenyl-N-propyl-
CAS Number:
120116-64-5
Molecular Formula:
C18H17N5
Molecular Weight:
303.3611
IUPAC Name:
6-phenyl-N-propyl-[1,2,4]triazolo[3,4-a]phthalazin-3-amine
InChI:
InChI=1S/C18H17N5/c1-2-12-19-18-21-20-17-15-11-7-6-10-14(15)16(22-23(17)18)13-8-4-3-5-9-13/h3-11H,2,12H2,1H3,(H,19,21)
InChI Key:
AKILEWSHHCTPAL-UHFFFAOYSA-N
SMILES:
CCCNc1nnc2n1nc(c1ccccc1)c1c2cccc1

Properties

Complexity:
384  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.148g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
303.369g/mol
Monoisotopic Mass:
303.148g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9  

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