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87539-90-0 | N-METHYL-3-PHENYL-1,2,4-TRIAZOLO[3,4-A]PHTHALAZIN-6-AMINE
CAS No: 87539-90-0 Catalog No: AG004F02 MDL No:
Product Description
Catalog Number:
AG004F02
Chemical Name:
N-METHYL-3-PHENYL-1,2,4-TRIAZOLO[3,4-A]PHTHALAZIN-6-AMINE
CAS Number:
87539-90-0
Molecular Formula:
C16H13N5
Molecular Weight:
275.3079
IUPAC Name:
N-methyl-3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-amine
InChI:
InChI=1S/C16H13N5/c1-17-14-12-9-5-6-10-13(12)16-19-18-15(21(16)20-14)11-7-3-2-4-8-11/h2-10H,1H3,(H,17,20)
InChI Key:
GLRABDXTKZYASM-UHFFFAOYSA-N
SMILES:
CNc1nn2c(nnc2c2c1cccc2)c1ccccc1
Properties
Complexity:
357
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.117g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
275.315g/mol
Monoisotopic Mass:
275.117g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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