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113486-75-2 | 1,2,4-Triazolo[3,4-b][1,3,4]thiadiazol-6-amine, N,3-diphenyl-
CAS No: 113486-75-2 Catalog No: AG0008R5 MDL No:
Product Description
Catalog Number:
AG0008R5
Chemical Name:
1,2,4-Triazolo[3,4-b][1,3,4]thiadiazol-6-amine, N,3-diphenyl-
CAS Number:
113486-75-2
Molecular Formula:
C15H11N5S
Molecular Weight:
293.3463
IUPAC Name:
N,3-diphenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine
InChI:
InChI=1S/C15H11N5S/c1-3-7-11(8-4-1)13-17-18-15-20(13)19-14(21-15)16-12-9-5-2-6-10-12/h1-10H,(H,16,19)
InChI Key:
QPGCYLVIRPFQEO-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)Nc1sc2n(n1)c(nn2)c1ccccc1
Properties
Complexity:
343
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.074g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
293.348g/mol
Monoisotopic Mass:
293.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
83.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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