5-Amino-1-isopropyl-1H-indazole - CAS 928821-18-5

Catalog:	BB040698
Product Name:	5-Amino-1-isopropyl-1H-indazole
CAS:	928821-18-5
Synonyms:	1-propan-2-yl-5-indazolamine; 1-propan-2-ylindazol-5-amine

Technical Data

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Patents

Computed Properties

IUPAC Name:	1-propan-2-ylindazol-5-amine
Description:	5-Amino-1-isopropyl-1H-indazole (CAS# 928821-18-5) is a useful research chemical.
Molecular Weight:	175.23
Molecular Formula:	C10H13N3
Canonical SMILES:	CC(C)N1C2=C(C=C(C=C2)N)C=N1
InChI:	InChI=1S/C10H13N3/c1-7(2)13-10-4-3-9(11)5-8(10)6-12-13/h3-7H,11H2,1-2H3
InChI Key:	GZEUSNZVGUYGGV-UHFFFAOYSA-N
Boiling Point:	323.85 °C at 760 mmHg
Density:	1.192 g/cm³
LogP:	2.78060

Publication Number	Title	Priority Date
EP-2762476-A1	1,2,4-triazine-6-carboxamide derivative	20110930
US-2014343038-A1	1,2,4-triazine-6-carboxamide derivative	20110930
US-9145414-B2	1,2,4-triazine-6-carboxamide derivative	20110930
US-2012122846-A1	FURO[3,2-d]PYRIMIDINE COMPOUNDS	20101008
US-8551981-B2	Furo[3,2-d]pyrimidine compounds	20101008

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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:	181
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	175.110947427
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	175.110947427
Rotatable Bond Count:	1
Topological Polar Surface Area:	43.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6