6-Aminopyridazine-3-carboxylic Acid - CAS 59772-58-6

Catalog:	BB030494
Product Name:	6-Aminopyridazine-3-carboxylic Acid
CAS:	59772-58-6
Synonyms:	6-amino-3-pyridazinecarboxylic acid; 6-aminopyridazine-3-carboxylic acid

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Computed Properties

IUPAC Name:	6-aminopyridazine-3-carboxylic acid
Description:	6-Aminopyridazine-3-carboxylic Acid (CAS# 59772-58-6) is a useful research chemical.
Molecular Weight:	139.11
Molecular Formula:	C5H5N3O2
Canonical SMILES:	C1=CC(=NN=C1C(=O)O)N
InChI:	InChI=1S/C5H5N3O2/c6-4-2-1-3(5(9)10)7-8-4/h1-2H,(H2,6,8)(H,9,10)
InChI Key:	OTXZCRCTNZCHKJ-UHFFFAOYSA-N
Boiling Point:	512.2 °C at 760 mmHg
Density:	1.533 g/cm³
MDL:	MFCD06658328
LogP:	0.33820

Publication Number	Title	Priority Date
CN-109516961-B	Aminoquinazolinone and aminoisoquinolinone derivatives and uses thereof	20181225
WO-2020134921-A1	Amino quinazolinone, amino isoquinolone derivatives and application thereof	20181225
US-10005785-B2	Substituted 6,7-dihydropyrazolo[1,5-a] pyrazines as negative allosteric modulators of mGlUR2 receptors	20140801
US-10519162-B2	6,7-dihydropyrazolo[1,5-Î±]pyrazin-4(5H)-one compounds and their use as negative allosteric modulators of mGluR2 receptors	20140801
US-2017217971-A1	6,7-DIHYDROPYRAZOLO[1,5-a]PYRAZIN-4(5H)-ONE COMPOUNDS AND THEIR USE AS NEGATIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS	20140801

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	139
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	139.038176411
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	139.038176411
Rotatable Bond Count:	1
Topological Polar Surface Area:	89.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.6