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N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methylpyridin-3-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine

N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methylpyridin-3-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine

CAS: 1951408-58-4

Formula: C20H17FN6O

SMILES: CC1=C(C=CC=N1)C1=CN=C(NCC2=C(F)C=CC3=C2CCO3)N2C=NN=C12

IUPAC: N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methylpyridin-3-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine

InChI: InChI=1S/C20H17FN6O/c1-12-13(3-2-7-22-12)16-10-24-20(27-11-25-26-19(16)27)23-9-15-14-6-8-28-18(14)5-4-17(15)21/h2-5,7,10-11H,6,8-9H2,1H3,(H,23,24)

Composition: C (63.82%), H (4.55%), F (5.05%), N (22.33%), O (4.25%)

Molar Mass: 376.395

Atom Count: 45

Heavy Atom Count: 28

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 0
Exact Mass 376.144787354
Formal Charge 0
FSP3 0.2
Hetero Ring Count 4
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 1
InChIKey XLIBABIFOBYHSV-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 106.19
Topological Polar Surface Area 77.23
Polarizability 39.12
Ring Count 5
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
98% <4 Days 1951408-58-4 $83.32-$715.48$83.32$151.35$330.99$492.27$715.48
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