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Methyl 1-Methyl-1,2,3-triazole-4-carboxylate

Methyl 1-Methyl-1,2,3-triazole-4-carboxylate - CAS 57362-82-0

Catalog:	BB029662
Product Name:	Methyl 1-Methyl-1,2,3-triazole-4-carboxylate
CAS:	57362-82-0
Synonyms:	1-methyl-4-triazolecarboxylic acid methyl ester; methyl 1-methyltriazole-4-carboxylate

Technical Data

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Computed Properties

IUPAC Name:	methyl 1-methyltriazole-4-carboxylate
Description:	Methyl 1-Methyl-1,2,3-triazole-4-carboxylate (CAS# 57362-82-0) is a useful research chemical.
Molecular Weight:	141.13
Molecular Formula:	C5H7N3O2
Canonical SMILES:	CN1C=C(N=N1)C(=O)OC
InChI:	InChI=1S/C5H7N3O2/c1-8-3-4(6-7-8)5(9)10-2/h3H,1-2H3
InChI Key:	MHGDTEULYQGOEU-UHFFFAOYSA-N
Boiling Point:	246.089 °C at 760 mmHg
Density:	1.324 g/cm³
LogP:	-0.39830

Publication Number	Title	Priority Date
WO-2021185256-A1	Substituted pyrimidine or pyridine amine derivative, composition thereof, and medical use thereof	20200316
EP-3782997-A1	Fused pyrimidine compounds and pharmaceutical compositions thereof for the treatment of fibrotic diseases	20190819
WO-2021032323-A1	Fused pyrimidine compounds and pharmaceutical compositions thereof for the treatment of fibrotic diseases	20190819
EP-3541805-B1	Heteroaryl-substituted triazoles as apj receptor agonists	20161116
US-11046680-B1	Heteroaryl-substituted triazoles as APJ receptor agonists	20161116

PMID	Publication Date	Title	Journal
21579536	20100526	Methyl 1-methyl-1H-1,2,3-triazole-4-carboxyl-ate	Acta crystallographica. Section E, Structure reports online

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Related Functional Groups

Carbonyl Compounds

[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[1431966-64-1]
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride
[59855-96-8]
2-(Methoxymethyl)thiazole-5-carboxylic Acid

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	139
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:	2
Topological Polar Surface Area:	57 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.1