3-Bromo-4-methyl-4H-1,2,4-triazole - CAS 16681-73-5

Catalog:	BB012323
Product Name:	3-Bromo-4-methyl-4H-1,2,4-triazole
CAS:	16681-73-5
Synonyms:	3-bromo-4-methyl-1,2,4-triazole; 3-bromo-4-methyl-1,2,4-triazole

Technical Data

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Patents

Computed Properties

IUPAC Name:	3-bromo-4-methyl-1,2,4-triazole
Description:	3-Bromo-4-methyl-4H-1,2,4-triazole (CAS# 16681-73-5) is a useful research chemical compound.
Molecular Weight:	161.99
Molecular Formula:	C3H4BrN3
Canonical SMILES:	CN1C=NN=C1Br
InChI:	InChI=1S/C3H4BrN3/c1-7-2-5-6-3(7)4/h2H,1H3
InChI Key:	PYMVKLCRJYMSGC-UHFFFAOYSA-N
Boiling Point:	255.9 °C at 760 mmHg
Density:	1.93 g/cm³
LogP:	0.57760

Publication Number	Title	Priority Date
TW-201944993-A	CBL-B inhibitor and use method thereof	20180126
WO-2019148005-A1	Inhibitors of cbl-b and methods of use thereof	20180126
EP-3743063-A1	Inhibitors of cbl-b and methods of use thereof	20180126
TW-201833087-A	1,3-substituted pyrazole compounds useful for reduction of very long chain fatty acid levels	20161209
US-2018251431-A1	1,3-substituted pyrazole compounds useful for reduction of very long chain fatty acid levels	20161209

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Related Functional Groups

Triazole/Tetrazole

[828291-81-2]
5-(3-((2-Bromophenoxy)methyl)phenyl)-4-ethyl-4H-1,2,4-triazole-3-thiol
[1005680-56-7]
Ethyl ({4-ethyl-5-[1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-YL]-4H-1,2,4-triazol-3-YL}thio)acetate
[13616-37-0]
Ethyl 1H-tetrazole-5-acetate
[146-68-9]
Iodonitrotetrazolium chloride
[106535-16-4]
Methyl-2-(1H-1,2,4-triazole-1-yl) acetate
[138169-43-4]
MTS Reagent

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	67.2
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	160.95886
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	160.95886
Rotatable Bond Count:	0
Topological Polar Surface Area:	30.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.5