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3-{2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}propanoic acid

3-{2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}propanoic acid

CAS: 878441-49-7

Formula: C11H14N4O2

SMILES: CC1=NN2C(=N1)N=C(C)C(CCC(O)=O)=C2C

IUPAC: 3-{2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}propanoic acid

InChI: InChI=1S/C11H14N4O2/c1-6-9(4-5-10(16)17)7(2)15-11(12-6)13-8(3)14-15/h4-5H2,1-3H3,(H,16,17)

Composition: C (56.40%), H (6.02%), N (23.92%), O (13.66%)

Molar Mass: 234.259

Atom Count: 31

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 234.111675707
Formal Charge 0
FSP3 0.45
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 1
InChIKey MKEJYGMTOSXNLM-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 73.88
Topological Polar Surface Area 80.38
Polarizability 22.91
Ring Count 2
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 878441-49-7 $175.40-$269.51$175.40$269.51
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