1-Methyl-1H-1,2,3-triazol-4-amine Hydrochloride - CAS 860176-01-8

Name: 1-Methyl-1H-1,2,3-triazol-4-amine Hydrochloride
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB059298
Product Name:	1-Methyl-1H-1,2,3-triazol-4-amine Hydrochloride
CAS:	860176-01-8
Synonyms:	1-Methyl-1H-1,2,3-triazol-4-amine Hydrochloride

Technical Data

IUPAC Name:	1-methyltriazol-4-aminehydrochloride
Description:	Hydrochloride salt of 1-Methyl-1H-1,2,3-triazol-4-amine used in the synhesis of intermediates for various biologically active compounds. Acts as an inhibitor scaffold for histone lysine demethylase KDM4C in the treatment of prostate and breast cancer.
Molecular Weight:	134.57
Molecular Formula:	C3H7ClN4
Canonical SMILES:	CN1C=C(N=N1)N.Cl
InChI:	InChI=1S/C3H6N4.ClH/c1-7-2-3(4)5-6-7/h2H,4H2,1H31H
InChI Key:	XQTNGWOVPVTOEB-UHFFFAOYSA-N
References:	Prabakaran, K. et al. Res. Chem. Intermed., 38, 1101 (2012); Leurs, U. et al. Bioorg. Med. Chem. Lett., 22, 5811 (2012).

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
JP-2017534663-A	Substituted bridged urea analogs as sirtuin regulators	20141119
KR-20170083134-A	Substituted bridged urea analogs as sirtuin modulators	20141119
US-2017355705-A1	Substituted bridged urea analogs as sirtuin modulators	20141119
WO-2016081692-A2	Substituted bridged urea analogs as sirtuin modulators	20141119
CA-2946654-A1	Triaminopyrimidine compounds useful for preventing or treating malaria	20140428
DK-3137455-T3	Triaminopyrimidine compounds for the prevention or treatment of malaria	20140428
EP-3137455-B1	Triaminopyrimidine compounds useful for preventing or treating malaria	20140428
ES-2696350-T3	Useful triaminopyrimidine compounds to prevent or treat malaria	20140428
JP-2017514804-A	Triaminopyrimidine compounds useful for the prevention or treatment of malaria	20140428
JP-6529983-B2	Triaminopyrimidine compounds useful for the prevention or treatment of malaria	20140428

Complexity:	64
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	134.0359239
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	134.0359239
Rotatable Bond Count:	0
Topological Polar Surface Area:	56.7Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0