4,5-Dibromo-1-methyl-1,2,3-triazole - CAS 25537-64-8

Catalog:	BB018943
Product Name:	4,5-Dibromo-1-methyl-1,2,3-triazole
CAS:	25537-64-8
Synonyms:	4,5-dibromo-1-methyltriazole; 4,5-dibromo-1-methyltriazole

Technical Data

Patents

Computed Properties

IUPAC Name:	4,5-dibromo-1-methyltriazole
Description:	4,5-Dibromo-1-methyl-1,2,3-triazole (CAS# 25537-64-8) is a useful research chemical.
Molecular Weight:	240.88
Molecular Formula:	C3H3Br2N3
Canonical SMILES:	CN1C(=C(N=N1)Br)Br
InChI:	InChI=1S/C3H3Br2N3/c1-8-3(5)2(4)6-7-8/h1H3
InChI Key:	RQVSHMOPECIDSU-UHFFFAOYSA-N
MDL:	MFCD00499501
LogP:	1.34010

Publication Number	Title	Priority Date
WO-2021197276-A1	Amide compounds and uses thereof	20200330
US-2021171500-A1	Triazole carbamate pyridyl sulfonamides as lpa receptor antagonists and uses thereof	20191115
WO-2021097039-A1	Triazole carbamate pyridyl sulfonamides as lpa receptor antagonists and uses thereof	20191115
WO-2020214545-A1	Process for preparing carbamoyloxymethyl triazole cyclohexyl acid compounds	20190416
WO-2017080980-A1	Dihydropyrrolopyrazinone derivatives useful in the treatment of cancer	20151109

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Related Functional Groups

Triazole/Tetrazole

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Complexity:	88.6
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	240.86732
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	238.86937
Rotatable Bond Count:	0
Topological Polar Surface Area:	30.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7