Free Chemical Databases
-
[Synonyms]
NSC302996
62404-64-2
[Structure]
[ Properties Computed from Structure]
Molecular Weight 244.20468 [g/mol] Molecular Formula C8H12N4O5 XLogP -2.6 H-Bond Donor 5 H-Bond Acceptor 8 Rotatable Bond Count 3 Tautomer Count 16 Exact Mass 244.08077 MonoIsotopic Mass 244.08077 Topological Polar Surface Area 155 Heavy Atom Count 17 Formal Charge 0 Complexity 304 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 4 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 0 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: 5-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-1,2,
4-triazole-3-carboxamide
Canonical SMILES: C(C1C(C(C(O1)C2=NC(=NN2)C(=O)N)O)O)O
InChI: InChI=1/C8H12N4O5/c9-6(16)8-10-7(11-12-8)5-4(15)3(14)2(1-13)17-5/h2-5,
13-15H,1H2,(H2,9,16)(H,10,11,12)/f/h11H,9H2
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