3-(Chloromethyl)-4,5-dimethyl-4H-1,2,4-triazole - CAS 881845-16-5

Catalog:	BB038773
Product Name:	3-(Chloromethyl)-4,5-dimethyl-4H-1,2,4-triazole
CAS:	881845-16-5
Synonyms:	3-(chloromethyl)-4,5-dimethyl-1,2,4-triazole; 3-(chloromethyl)-4,5-dimethyl-1,2,4-triazole

Technical Data

Patents

Computed Properties

IUPAC Name:	3-(chloromethyl)-4,5-dimethyl-1,2,4-triazole
Description:	3-(Chloromethyl)-4,5-dimethyl-4H-1,2,4-triazole (CAS# 881845-16-5 ) is a useful research chemical.
Molecular Weight:	145.59
Molecular Formula:	C5H8ClN3
Canonical SMILES:	CC1=NN=C(N1C)CCl
InChI:	InChI=1S/C5H8ClN3/c1-4-7-8-5(3-6)9(4)2/h3H2,1-2H3
InChI Key:	LSWIXGUFXFSQHS-UHFFFAOYSA-N
LogP:	0.86230

Publication Number	Title	Priority Date
WO-2020249785-A1	Substituted heteroaromatic pyrazolo-pyridines and their use as glun2b receptor modulators	20190614
US-2021017169-A1	Substituted heteroaromatic pyrazolo-pyridines and their use as glun2b receptor modulators	20190614
US-2020308145-A1	Benzimidazole derivatives and their uses	20171019
JP-2017526726-A	Heterocyclic compounds and uses thereof	20140915
EP-2970265-B1	Heterocyclic compounds and uses thereof	20130315

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Complexity:	98.2
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	145.040675
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	145.040675
Rotatable Bond Count:	1
Topological Polar Surface Area:	30.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.3