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Home > Pyridines > 160427-36-1
160427-36-1 | 1,2,4-Triazolo[3,4-b][1,3,4]thiadiazole, 6-phenyl-3-(3-pyridinyl)-
CAS No: 160427-36-1 Catalog No: AG001RWP MDL No:
Product Description
Catalog Number:
AG001RWP
Chemical Name:
1,2,4-Triazolo[3,4-b][1,3,4]thiadiazole, 6-phenyl-3-(3-pyridinyl)-
CAS Number:
160427-36-1
Molecular Formula:
C14H9N5S
Molecular Weight:
279.3198
IUPAC Name:
6-phenyl-3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
InChI:
InChI=1S/C14H9N5S/c1-2-5-10(6-3-1)13-18-19-12(16-17-14(19)20-13)11-7-4-8-15-9-11/h1-9H
InChI Key:
PAFHDOHFSGBJCW-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)c1nn2c(s1)nnc2c1cccnc1
Properties
Complexity:
336
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.058g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
279.321g/mol
Monoisotopic Mass:
279.058g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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