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methyl [1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate

methyl [1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate

CAS: 1082977-64-7

Formula: C7H6N4O2

SMILES: COC(=O)C1=NN2C=CC=NC2=N1

IUPAC: methyl [1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate

InChI: InChI=1S/C7H6N4O2/c1-13-6(12)5-9-7-8-3-2-4-11(7)10-5/h2-4H,1H3

Composition: C (47.19%), H (3.39%), N (31.45%), O (17.96%)

Molar Mass: 178.151

Atom Count: 19

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 178.049075449
Formal Charge 0
FSP3 0.14
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey AHZYWSHUYPGVHD-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 55.29
Topological Polar Surface Area 69.38
Polarizability 16.08
Ring Count 2
Rotatable Bond Count 2

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Purity (%)
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Purity LeadTime CAS PacketSize UnitPrice
96% <2 Days 1082977-64-7 $126.50-$1,370.80$126.50$143.75$171.35$227.70$342.70$1,370.80
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