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5-(2-chlorophenyl)-7-(3-methoxyphenyl)-4H,5H,6H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine

5-(2-chlorophenyl)-7-(3-methoxyphenyl)-4H,5H,6H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine

Formula: C18H18ClN5O

SMILES: COC1=CC=CC(=C1)C1CC(NC2=NC(N)=NN12)C1=CC=CC=C1Cl

IUPAC: 5-(2-chlorophenyl)-7-(3-methoxyphenyl)-4H,5H,6H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine

InChI: InChI=1/C18H18ClN5O/c1-25-12-6-4-5-11(9-12)16-10-15(13-7-2-3-8-14(13)19)21-18-22-17(20)23-24(16)18/h2-9,15-16H,10H2,1H3,(H3,20,21,22,23)

Composition: C (60.76%), H (5.10%), Cl (9.96%), N (19.68%), O (4.50%)

Molar Mass: 355.83

Atom Count: 43

Heavy Atom Count: 25

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 2
Exact Mass 355.1199879
Formal Charge 0
FSP3 0.22
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 2
InChIKey QFOZXJJXXRICQD-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 111.18
Topological Polar Surface Area 77.99
Polarizability 36.82
Ring Count 4
Rotatable Bond Count 3

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Purity (%)
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Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C18H18ClN5O $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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