2-{4-Oxo-4H,5H-pyrazolo[1,5-d][1,2,4]triazin-5-yl}acetic acid - CAS 84384-71-4

Catalog:	BB049045
Product Name:	2-{4-Oxo-4H,5H-pyrazolo[1,5-d][1,2,4]triazin-5-yl}acetic acid
CAS:	84384-71-4
Synonyms:	(4-oxopyrazolo[1,5-d][1,2,4]triazin-5(4H)-yl)acetic acid; 2-(Oxopyrazolo[1,5-d][1,2,4]triazin-1-yl)acetic acid; Pyrazolo[1,5-d][1,2,4]triazine-5(4H)-acetic acid, 4-oxo-

Technical Data

IUPAC Name:	2-(4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl)acetic acid
Description:	2-{4-Oxo-4H,5H-pyrazolo[1,5-d][1,2,4]triazin-5-yl}acetic acid (CAS# 84384-71-4 ) is a useful research chemical.
Molecular Weight:	194.15
Molecular Formula:	C7H6N4O3
Canonical SMILES:	C1=C2C(=O)N(N=CN2N=C1)CC(=O)O
InChI:	InChI=1S/C7H6N4O3/c12-6(13)3-10-7(14)5-1-2-8-11(5)4-9-10/h1-2,4H,3H2,(H,12,13)
InChI Key:	YBWSKZFXENCATM-UHFFFAOYSA-N
Boiling Point:	478.6±47.0 °C (Predicted)
Purity:	≥ 95 %
Density:	1.74±0.1 g/cm³ (Predicted)

Complexity:	303
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	194.04399007
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	194.04399007
Rotatable Bond Count:	2
Topological Polar Surface Area:	87.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.4