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2-[6-(1-phenylpropyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]pyridine

2-[6-(1-phenylpropyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]pyridine

Formula: C17H15N5S

SMILES: CCC(C1=NN2C(S1)=NN=C2C1=CC=CC=N1)C1=CC=CC=C1

IUPAC: 2-[6-(1-phenylpropyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]pyridine

InChI: InChI=1/C17H15N5S/c1-2-13(12-8-4-3-5-9-12)16-21-22-15(19-20-17(22)23-16)14-10-6-7-11-18-14/h3-11,13H,2H2,1H3

Composition: C (63.53%), H (4.70%), N (21.79%), S (9.98%)

Molar Mass: 321.4

Atom Count: 38

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 1
Exact Mass 321.104816677
Formal Charge 0
FSP3 0.18
Hetero Ring Count 3
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey BKZIUTCVOZHRTC-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 122.74
Topological Polar Surface Area 55.97
Polarizability 34.65
Ring Count 4
Rotatable Bond Count 4

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C17H15N5S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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