Methyl 3-Aminopyridazine-4-carboxylate - CAS 1256633-18-7

Catalog:	BB006183
Product Name:	Methyl 3-Aminopyridazine-4-carboxylate
CAS:	1256633-18-7
Synonyms:	3-amino-4-pyridazinecarboxylic acid methyl ester; methyl 3-aminopyridazine-4-carboxylate

Technical Data

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Computed Properties

IUPAC Name:	methyl 3-aminopyridazine-4-carboxylate
Description:	Methyl 3-Aminopyridazine-4-carboxylate (CAS# 1256633-18-7) is a useful research chemical.
Molecular Weight:	153.14
Molecular Formula:	C6H7N3O2
Canonical SMILES:	COC(=O)C1=C(N=NC=C1)N
InChI:	InChI=1S/C6H7N3O2/c1-11-6(10)4-2-3-8-9-5(4)7/h2-3H,1H3,(H2,7,9)
InChI Key:	XEYGDGLCYQQXJS-UHFFFAOYSA-N
LogP:	2.16070

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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Carbonyl Compounds

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Complexity:	151
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	153.053826475
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	153.053826475
Rotatable Bond Count:	2
Topological Polar Surface Area:	78.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.1