Methyl 1H-1,2,3-Triazole-1-acetate - CAS 1021869-29-3

Catalog:	BB000799
Product Name:	Methyl 1H-1,2,3-Triazole-1-acetate
CAS:	1021869-29-3
Synonyms:	2-(1-triazolyl)acetic acid methyl ester; methyl 2-(triazol-1-yl)acetate

Technical Data

Patents

Computed Properties

IUPAC Name:	methyl 2-(triazol-1-yl)acetate
Description:	Methyl 1H-1,2,3-Triazole-1-acetate (CAS# 1021869-29-3 ) is a useful research chemical.
Molecular Weight:	141.13
Molecular Formula:	C5H7N3O2
Canonical SMILES:	COC(=O)CN1C=CN=N1
InChI:	InChI=1S/C5H7N3O2/c1-10-5(9)4-8-3-2-6-7-8/h2-3H,4H2,1H3
InChI Key:	DWFPKOHATFOSKS-UHFFFAOYSA-N
LogP:	-0.54890

Publication Number	Title	Priority Date
EA-027804-B1	Method for the preparation of triazole compounds	20120508
PT-2847183-T	Process for the preparation of triazole compounds	20120508
US-2015087827-A1	Method for the preparation of triazole compounds	20120508
EP-2804854-A1	Substituted triazoles and their use for treatment and/or prevention neurological and psychiatric disorders	20120117
EP-2804854-B1	Substituted triazoles and their use for treatment and/or prevention of neurological and psychiatric disorders	20120117

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1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid

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Complexity:	128
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	141.053826475
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	141.053826475
Rotatable Bond Count:	3
Topological Polar Surface Area:	57
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.3