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N'-{7-[1-(4-chloro-2-methylphenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-N-methoxymethanimidamide

N'-{7-[1-(4-chloro-2-methylphenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-N-methoxymethanimidamide

CAS: 477865-59-1

Formula: C16H17ClN6O2

SMILES: CONC=NC1=NN2C(=N1)N=CC=C2C(C)OC1=C(C)C=C(Cl)C=C1

IUPAC: N'-{7-[1-(4-chloro-2-methylphenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-N-methoxymethanimidamide

InChI: InChI=1/C16H17ClN6O2/c1-10-8-12(17)4-5-14(10)25-11(2)13-6-7-18-16-21-15(22-23(13)16)19-9-20-24-3/h4-9,11H,1-3H3,(H,19,20,22)

Composition: C (53.26%), H (4.75%), Cl (9.83%), N (23.29%), O (8.87%)

Molar Mass: 360.8

Atom Count: 42

Heavy Atom Count: 25

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 1
Exact Mass 360.1101515
Formal Charge 0
FSP3 0.25
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 7
Hydrogen Bond Donor Count 1
InChIKey OZWWQEQUDKBSCF-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 118.29
Topological Polar Surface Area 85.93
Polarizability 35.4
Ring Count 3
Rotatable Bond Count 5

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Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 477865-59-1 $51.35-$86.31$51.35$63.37$86.31
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