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87539-84-2 | 1,2,4-Triazolo[3,4-a]phthalazine,3-phenyl-6-(1-pyrrolidinyl)-
CAS No: 87539-84-2 Catalog No: AG004DDY MDL No:
Product Description
Catalog Number:
AG004DDY
Chemical Name:
1,2,4-Triazolo[3,4-a]phthalazine,3-phenyl-6-(1-pyrrolidinyl)-
CAS Number:
87539-84-2
Molecular Formula:
C19H17N5
Molecular Weight:
315.3718
IUPAC Name:
3-phenyl-6-pyrrolidin-1-yl-[1,2,4]triazolo[3,4-a]phthalazine
InChI:
InChI=1S/C19H17N5/c1-2-8-14(9-3-1)17-20-21-18-15-10-4-5-11-16(15)19(22-24(17)18)23-12-6-7-13-23/h1-5,8-11H,6-7,12-13H2
InChI Key:
XCYPTFZMNWGGEH-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)c1nnc2n1nc(N1CCCC1)c1c2cccc1
Properties
Complexity:
432
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:
2
Topological Polar Surface Area:
46.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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