3-Amino-4-pyridazinecarboxylic Acid - CAS 21141-03-7

Catalog:	BB016645
Product Name:	3-Amino-4-pyridazinecarboxylic Acid
CAS:	21141-03-7
Synonyms:	3-amino-4-pyridazinecarboxylic acid; 3-aminopyridazine-4-carboxylic acid

Technical Data

Patents

Computed Properties

IUPAC Name:	3-aminopyridazine-4-carboxylic acid
Description:	3-Amino-4-pyridazinecarboxylic Acid (CAS# 21141-03-7) is a useful research chemical.
Molecular Weight:	139.11
Molecular Formula:	C5H5N3O2
Canonical SMILES:	C1=CN=NC(=C1C(=O)O)N
InChI:	InChI=1S/C5H5N3O2/c6-4-3(5(9)10)1-2-7-8-4/h1-2H,(H2,6,8)(H,9,10)
InChI Key:	KCOOFYQDXAMIBZ-UHFFFAOYSA-N
Boiling Point:	470.5 °C at 760 mmHg
Density:	1.533 g/cm³
Appearance:	Solid
LogP:	0.33820

Publication Number	Title	Priority Date
TW-202003513-A	Inhibitors of plasma kallikrein and uses thereof	20180313
US-2019284182-A1	Inhibitors of plasma kallikrein and uses thereof	20180313
WO-2019178129-A1	Substituted imidazopyridines as inhibitors of plasma kallikrein and uses thereof	20180313
AU-2019234670-A1	Substituted imidazopyridines as inhibitors of plasma kallikrein and uses thereof	20180313
US-10730874-B2	Inhibitors of plasma kallikrein and uses thereof	20180313

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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
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.4