5-(Chloromethyl)-1-methyl-1,2,4-triazole - CAS 153851-72-0

Catalog:	BB010943
Product Name:	5-(Chloromethyl)-1-methyl-1,2,4-triazole
CAS:	153851-72-0
Synonyms:	5-(chloromethyl)-1-methyl-1,2,4-triazole; 5-(chloromethyl)-1-methyl-1,2,4-triazole

Technical Data

Patents

Computed Properties

IUPAC Name:	5-(chloromethyl)-1-methyl-1,2,4-triazole
Description:	5-(Chloromethyl)-1-methyl-1,2,4-triazole (CAS# 153851-72-0 ) is a useful research chemical.
Molecular Weight:	131.56
Molecular Formula:	C4H6ClN3
Canonical SMILES:	CN1C(=NC=N1)CCl
InChI:	InChI=1S/C4H6ClN3/c1-8-4(2-5)6-3-7-8/h3H,2H2,1H3
InChI Key:	FRSUDGCEBGTNAB-UHFFFAOYSA-N
LogP:	0.55390

Publication Number	Title	Priority Date
WO-2021080330-A1	Nicotinamide compound and herbicidal composition comprising compound	20191021
KR-20210047264-A	Nicotinamide Compounds and Herbicide Composition Comprising the Same	20191021
US-2021106588-A1	Bicyclic heterocycles as fgfr inhibitors	20191014
WO-2021076602-A1	Bicyclic heterocycles as fgfr inhibitors	20191014
US-2015087585-A1	Diacylglycerol acyltransferase 2 inhibitors	20120406

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Related Functional Groups

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Complexity:	77.7
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	131.0250249
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	131.0250249
Rotatable Bond Count:	1
Topological Polar Surface Area:	30.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.4