Triazolopyridinone - CAS 23431-04-1

Catalog:	BB057327
Product Name:	Triazolopyridinone
CAS:	23431-04-1
Synonyms:	1H-[1,2,3]Triazolo[4,5-b]pyridin-5(4H)-one; 3,4-Dihydro-5H-1,2,3-triazolo[4,5-b]pyridin-5-one; 1H-v-Triazolo[4,5-b]pyridin-5-ol

Technical Data

IUPAC Name:	2,4-dihydrotriazolo[4,5-b]pyridin-5-one
Description:	Triazolopyridinone is used as a reagent in the synthesis of 4- and 2-b-D-ribofuranosyl derivatives which are potential inhibitors of the enzymes of polynucleotide synthesis.
Molecular Weight:	136.11
Molecular Formula:	C5H4N4O
Canonical SMILES:	C1=CC(=O)NC2=NNN=C21
InChI:	InChI=1S/C5H4N4O/c10-4-2-1-3-5(6-4)8-9-7-3/h1-2H,(H2,6,7,8,9,10)
InChI Key:	FITNPEDFWSPOMU-UHFFFAOYSA-N
Melting Point:	>220°C (dec.)
Solubility:	DMSO (Slightly), Methanol (Slightly, Heated, Sonicated)
Appearance:	Light Brown to Brown Solid
Storage:	4°C, Inert atmosphere, Light sensitive
References:	Lynch, B. M. et al. Can. J. Chem., 54, 1029 (1976).

Complexity:	190
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	136.03851076
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	136.03851076
Rotatable Bond Count:	0
Topological Polar Surface Area:	70.7Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.6