6-(Boc-amino)-3-pyridazinecarboxylic Acid - CAS 301548-08-3

Catalog:	BB020472
Product Name:	6-(Boc-amino)-3-pyridazinecarboxylic Acid
CAS:	301548-08-3
Synonyms:	6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-pyridazinecarboxylic acid; 6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridazine-3-carboxylic acid

Technical Data

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Computed Properties

IUPAC Name:	6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridazine-3-carboxylic acid
Description:	6-(Boc-amino)-3-pyridazinecarboxylic Acid can be used to treat inflammatory disorders.
Molecular Weight:	239.23
Molecular Formula:	C10H13N3O4
Canonical SMILES:	CC(C)(C)OC(=O)NC1=NN=C(C=C1)C(=O)O
InChI:	InChI=1S/C10H13N3O4/c1-10(2,3)17-9(16)11-7-5-4-6(8(14)15)12-13-7/h4-5H,1-3H3,(H,14,15)(H,11,13,16)
InChI Key:	OHXXYXPEHSXQOR-UHFFFAOYSA-N
LogP:	0.94370

Publication Number	Title	Priority Date
AU-2776500-A	New aminotriazole compounds, a process for their preparation and pharmaceutical compositions containing them	19990415
AU-761586-B2	New aminotriazole compounds, a process for their preparation and pharmaceutical compositions containing them	19990415
CN-1145616-C	Novel amino-triazole compound, its preparation method and drug composition containing them	19990415
CN-1272493-A	Novel amino-triazole compound, its preparation method and drug composition containing them	19990415
EA-003023-B1	NEW CONNECTIONS OF AMINOTRIAZOL, METHOD OF THEIR PRODUCTION AND CONTAINING THEIR PHARMACEUTICAL COMPOSITIONS	19990415

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Complexity:	300
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	239.0906059
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	239.0906059
Rotatable Bond Count:	4
Topological Polar Surface Area:	101
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.6