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

Name: 3-Bromo-4-methyl-4H-1,2,4-triazole
Brand: BOC Sciences
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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

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Related Functional Groups

Triazole/Tetrazole

[1855888-97-9]C12H18Cl2N4
N-Benzyl-1-(1-ethyl-1H-1,2,4-triazol-5-yl)methanamine dihydrochloride
[1415314-22-5]C6H3ClIN3
6-Chloro-8-iodo-[1,2,4]triazolo[1,5-a]pyridine
[1823829-53-3]C7H10ClN3O2
Ethyl 2-(5-chloro-1H-1,2,4-triazol-1-yl)propanoate
[1823842-92-7]C8H12ClN3O2
Ethyl 4-(5-chloro-1H-1,2,4-triazol-1-yl)butanoate
[4928-88-5]C4H5N3O2
Methyl-1H-1,2,4-triazole-3-carboxylate
[1570493-58-1]C12H8F3N5O2
5-(5-methyl-1H-1,2,4-triazol-3-yl)-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole

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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

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

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