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87539-96-6 | N,N-DIMETHYL-3-PHENYL-1,2,4-TRIAZOLO[3,4-A]PHTHALAZIN-6-AMINE
CAS No: 87539-96-6 Catalog No: AG004H2L MDL No:
Product Description
Catalog Number:
AG004H2L
Chemical Name:
N,N-DIMETHYL-3-PHENYL-1,2,4-TRIAZOLO[3,4-A]PHTHALAZIN-6-AMINE
CAS Number:
87539-96-6
Molecular Formula:
C17H15N5
Molecular Weight:
289.3345
IUPAC Name:
N,N-dimethyl-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-amine
InChI:
InChI=1S/C17H15N5/c1-21(2)17-14-11-7-6-10-13(14)16-19-18-15(22(16)20-17)12-8-4-3-5-9-12/h3-11H,1-2H3
InChI Key:
HIYCGGNODCMEFG-UHFFFAOYSA-N
SMILES:
CN(c1nn2c(nnc2c2c1cccc2)c1ccccc1)C
Properties
Complexity:
381
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.133g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
289.342g/mol
Monoisotopic Mass:
289.133g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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