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7-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid

7-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid

CAS: 1018143-77-5

Formula: C10H6N4O3

SMILES: OC(=O)C1=NN2C(=N1)N=CC=C2C1=CC=CO1

IUPAC: 7-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid

InChI: InChI=1S/C10H6N4O3/c15-9(16)8-12-10-11-4-3-6(14(10)13-8)7-2-1-5-17-7/h1-5H,(H,15,16)

Composition: C (52.18%), H (2.63%), N (24.34%), O (20.85%)

Molar Mass: 230.183

Atom Count: 23

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 230.043990069
Formal Charge 0
FSP3 0
Hetero Ring Count 3
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 1
InChIKey GBBYJVJLADFOAT-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 67.93
Topological Polar Surface Area 93.52
Polarizability 21.76
Ring Count 3
Rotatable Bond Count 2

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Crea-Chim UAB
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