3-Amino-1H-indazole - CAS 874-05-5

Catalog:	BB038425
Product Name:	3-Amino-1H-indazole
CAS:	874-05-5
Synonyms:	1H-indazol-3-amine; 1H-indazol-3-amine

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Computed Properties

IUPAC Name:	1H-indazol-3-amine
Description:	3-Amino-1H-indazole (CAS# 874-05-5) is a reagent used in the preparation of indazole derivatives as potential antimicrobial and antitumor agents.
Molecular Weight:	133.15
Molecular Formula:	C7H7N3
Canonical SMILES:	C1=CC=C2C(=C1)C(=NN2)N
InChI:	InChI=1S/C7H7N3/c8-7-5-3-1-2-4-6(5)9-10-7/h1-4H,(H3,8,9,10)
InChI Key:	YDTDKKULPWTHRV-UHFFFAOYSA-N
Boiling Point:	376.6 °C at 760 mmHg
Density:	1.367 g/cm³
MDL:	MFCD00182045
LogP:	1.72630

Publication Number	Title	Priority Date
CN-113045576-A	Construction method of pyrimido [1,2-b ] indazole parent nucleus	20210322
CN-113024564-A	Method for regioselectively constructing pyrimido [1,2-b ] indazole parent nucleus	20210311
CN-112358434-A	Preparation method of 3- (o-cyanobenzyl) indole-2-ketone compound	20201118
CN-111978253-A	(E) -N- (4-iodine-1H-indazole-3-yl) -1-phenyl methylamine compound and preparation method thereof	20200826
CN-111484499-A	Method for preparing drug intermediate chromene pyrimido indazolone derivative through catalysis	20200612

PMID	Publication Date	Title	Journal
26080733	20150728	Design, synthesis and biological evaluation of novel FGFR inhibitors bearing an indazole scaffold	Organic & biomolecular chemistry
22995073	20120920	Enabling structure-based drug design of Tyk2 through co-crystallization with a stabilizing aminoindazole inhibitor	BMC structural biology
22727638	20120715	An amino-indazole scaffold with spectrum selective kinase inhibition of FLT3, PDGFRα and kit	Bioorganic & medicinal chemistry letters
22738639	20120715	Contribution of indazolinone tautomers to kinase activity	Bioorganic & medicinal chemistry letters
22179411	20120301	BAI, a 3-aminoindazole derivative, inhibits interleukin-1β-induced expression of cyclooxygenase-2 in A549 human airway cells	International journal of molecular medicine

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GHS Hazard Statement:	H302+H312+H332 (25%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	126
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	133.063997236
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	133.063997236
Rotatable Bond Count:	0
Topological Polar Surface Area:	54.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2