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N-({3-methoxy-4-[(3-methylphenyl)methoxy]phenyl}methyl)-1H-1,2,4-triazol-3-amine

N-({3-methoxy-4-[(3-methylphenyl)methoxy]phenyl}methyl)-1H-1,2,4-triazol-3-amine

Formula: C18H20N4O2

SMILES: COC1=CC(CNC2=NNC=N2)=CC=C1OCC1=CC=CC(C)=C1

IUPAC: N-({3-methoxy-4-[(3-methylphenyl)methoxy]phenyl}methyl)-1H-1,2,4-triazol-3-amine

InChI: InChI=1S/C18H20N4O2/c1-13-4-3-5-15(8-13)11-24-16-7-6-14(9-17(16)23-2)10-19-18-20-12-21-22-18/h3-9,12H,10-11H2,1-2H3,(H2,19,20,21,22)

Composition: C (66.65%), H (6.21%), N (17.27%), O (9.86%)

Molar Mass: 324.384

Atom Count: 44

Heavy Atom Count: 24

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 324.1586259
Formal Charge 0
FSP3 0.22
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 2
InChIKey YBAXOHWRIURGGV-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 96.25
Topological Polar Surface Area 72.06
Polarizability 35.21
Ring Count 3
Rotatable Bond Count 7

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C18H20N4O2 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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