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N,N-dimethyl-4-[6-(pyridin-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]aniline

N,N-dimethyl-4-[6-(pyridin-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]aniline

Formula: C16H14N6S

SMILES: CN(C)C1=CC=C(C=C1)C1=NN=C2SC(=NN12)C1=CC=CN=C1

IUPAC: N,N-dimethyl-4-[6-(pyridin-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]aniline

InChI: InChI=1S/C16H14N6S/c1-21(2)13-7-5-11(6-8-13)14-18-19-16-22(14)20-15(23-16)12-4-3-9-17-10-12/h3-10H,1-2H3

Composition: C (59.61%), H (4.38%), N (26.07%), S (9.94%)

Molar Mass: 322.39

Atom Count: 37

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 0
Exact Mass 322.100065649
Formal Charge 0
FSP3 0.12
Hetero Ring Count 3
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 0
InChIKey OKTCXFOTQZKSFJ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 134.3
Topological Polar Surface Area 59.21
Polarizability 34.7
Ring Count 4
Rotatable Bond Count 3

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C16H14N6S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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