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87539-85-3 | 6-(4-MORPHOLINYL)-3-PHENYL-1,2,4-TRIAZOLO[3,4-A]PHTHALAZINE
CAS No: 87539-85-3 Catalog No: AG004H42 MDL No:
Product Description
Catalog Number:
AG004H42
Chemical Name:
6-(4-MORPHOLINYL)-3-PHENYL-1,2,4-TRIAZOLO[3,4-A]PHTHALAZINE
CAS Number:
87539-85-3
Molecular Formula:
C19H17N5O
Molecular Weight:
331.3712
IUPAC Name:
4-(3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl)morpholine
InChI:
InChI=1S/C19H17N5O/c1-2-6-14(7-3-1)17-20-21-18-15-8-4-5-9-16(15)19(22-24(17)18)23-10-12-25-13-11-23/h1-9H,10-13H2
InChI Key:
FFXVMDJRDNDICF-UHFFFAOYSA-N
SMILES:
O1CCN(CC1)c1nn2c(nnc2c2c1cccc2)c1ccccc1
Properties
Complexity:
451
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.143g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
331.379g/mol
Monoisotopic Mass:
331.143g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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