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2-{3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}pyridine

2-{3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}pyridine

Formula: C11H11N5S

SMILES: CCCC1=NN=C2SC(=NN12)C1=CC=CC=N1

IUPAC: 2-{3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}pyridine

InChI: InChI=1S/C11H11N5S/c1-2-5-9-13-14-11-16(9)15-10(17-11)8-6-3-4-7-12-8/h3-4,6-7H,2,5H2,1H3

Composition: C (53.86%), H (4.52%), N (28.55%), S (13.07%)

Molar Mass: 245.3

Atom Count: 28

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 245.073516548
Formal Charge 0
FSP3 0.27
Hetero Ring Count 3
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey CKYVKKJTZHMUBW-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 98.07
Topological Polar Surface Area 55.97
Polarizability 25.09
Ring Count 3
Rotatable Bond Count 3

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C11H11N5S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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