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ethyl 1-(4,6-dimethylpyrimidin-2-yl)-1H-1,2,3-triazole-4-carboxylate

ethyl 1-(4,6-dimethylpyrimidin-2-yl)-1H-1,2,3-triazole-4-carboxylate

CAS: 860784-44-7

Formula: C11H13N5O2

SMILES: CCOC(=O)C1=CN(N=N1)C1=NC(C)=CC(C)=N1

IUPAC: ethyl 1-(4,6-dimethylpyrimidin-2-yl)-1H-1,2,3-triazole-4-carboxylate

InChI: InChI=1S/C11H13N5O2/c1-4-18-10(17)9-6-16(15-14-9)11-12-7(2)5-8(3)13-11/h5-6H,4H2,1-3H3

Composition: C (53.43%), H (5.30%), N (28.32%), O (12.94%)

Molar Mass: 247.258

Atom Count: 31

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 247.106924679
Formal Charge 0
FSP3 0.36
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 0
InChIKey QFBPHAZGSSQKOU-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 64.97
Topological Polar Surface Area 82.79
Polarizability 23.96
Ring Count 2
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 860784-44-7 $51.35-$524.40$51.35$63.37$86.31$524.40
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