1,4-Dimethyl-1H-1,2,3-triazole - CAS 60166-43-0

Catalog:	BB030605
Product Name:	1,4-Dimethyl-1H-1,2,3-triazole
CAS:	60166-43-0
Synonyms:	1,4-dimethyltriazole; 1,4-dimethyltriazole

Technical Data

Patents

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Computed Properties

IUPAC Name:	1,4-dimethyltriazole
Description:	1,4-Dimethyl-1H-1,2,3-triazole (CAS# 60166-43-0) is a useful research chemical.
Molecular Weight:	97.12
Molecular Formula:	C4H7N3
Canonical SMILES:	CC1=CN(N=N1)C
InChI:	InChI=1S/C4H7N3/c1-4-3-7(2)6-5-4/h3H,1-2H3
InChI Key:	OJAWOLWHEQUTDE-UHFFFAOYSA-N
LogP:	0.12350

Publication Number	Title	Priority Date
WO-2021201170-A1	Method for screening for, method for producing, and method for designing drug active ingredients	20200331
US-2021260204-A1	Fluoro-tf-muc1 glycopeptide conjugate, preparation method and application thereof	20200226
US-2021292301-A1	Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors	20200213
US-2021238577-A1	Electrochemically-cleavable linkers	20200204
WO-2021146553-A1	Macromolecular prodrugs for light-emitting diodes and uses thereof	20200117

PMID	Publication Date	Title	Journal
21580388	20100213	3-[(1-Benzyl-1H-1,2,3-triazol-4-yl)methyl]-1,5-dimethyl-1,5-benzodiazepine-2,4-dione	Acta crystallographica. Section E, Structure reports online
17257037	20070205	Heterocyclic-based nitrodicyanomethanide and dinitrocyanomethanide salts: a family of new energetic ionic liquids	Inorganic chemistry

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Related Functional Groups

Triazole/Tetrazole

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5-(4-Methoxyphenyl)-2H-tetrazole
[25537-64-8]
4,5-Dibromo-1-methyl-1,2,3-triazole
[1415314-22-5]
6-Chloro-8-iodo-[1,2,4]triazolo[1,5-a]pyridine
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Ethyl 1H-tetrazole-5-acetate
[1823402-86-3]
Ethyl 2-(3-bromo-1H-1,2,4-triazol-1-yl)propanoate

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Complexity:	64
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	97.063997236
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	97.063997236
Rotatable Bond Count:	0
Topological Polar Surface Area:	30.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.1