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ethyl 2-{2-amino-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}-3-phenylpropanoate

ethyl 2-{2-amino-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}-3-phenylpropanoate

CAS: 477869-91-3

Formula: C16H17N5O2

SMILES: CCOC(=O)C(CC1=CC=CC=C1)C1=CC=NC2=NC(N)=NN12

IUPAC: ethyl 2-{2-amino-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}-3-phenylpropanoate

InChI: InChI=1/C16H17N5O2/c1-2-23-14(22)12(10-11-6-4-3-5-7-11)13-8-9-18-16-19-15(17)20-21(13)16/h3-9,12H,2,10H2,1H3,(H2,17,20)

Composition: C (61.72%), H (5.50%), N (22.49%), O (10.28%)

Molar Mass: 311.345

Atom Count: 40

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 1
Exact Mass 311.138224807
Formal Charge 0
FSP3 0.25
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 1
InChIKey YXQXAWJQVNVWHG-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 98.22
Topological Polar Surface Area 95.4
Polarizability 32.23
Ring Count 3
Rotatable Bond Count 6

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Key Organics Ltd
Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 477869-91-3 $51.35-$524.40$51.35$63.37$86.31$524.40
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