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

Methyl 2-Methyl-1,2,3-triazole-4-carboxylate - CAS 105020-39-1

Name: Methyl 2-Methyl-1,2,3-triazole-4-carboxylate
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB001541
Product Name:	Methyl 2-Methyl-1,2,3-triazole-4-carboxylate
CAS:	105020-39-1
Synonyms:	2-methyl-4-triazolecarboxylic acid methyl ester; methyl 2-methyltriazole-4-carboxylate

Technical Data

Patents

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Computed Properties

IUPAC Name:	methyl 2-methyltriazole-4-carboxylate
Description:	Methyl 2-Methyl-1,2,3-triazole-4-carboxylate (CAS# 105020-39-1) is a useful research chemical.
Molecular Weight:	141.13
Molecular Formula:	C5H7N3O2
Canonical SMILES:	CN1N=CC(=N1)C(=O)OC
InChI:	InChI=1S/C5H7N3O2/c1-8-6-3-4(7-8)5(9)10-2/h3H,1-2H3
InChI Key:	DHEGGJDFEGULIC-UHFFFAOYSA-N
MDL:	MFCD16495898
LogP:	-0.39830

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]C23H22N2O5
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[253429-30-0]C12H16BrFO3
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene
[865774-78-3]C16H21F2NO2
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[59855-96-8]C6H7NO3S
2-(Methoxymethyl)thiazole-5-carboxylic Acid
[108397-75-7]C8H10N2O2
2,4,6-Trimethylpyrimidine-5-carboxylic Acid
[69616-74-6]C18H18O6
2',4-Dihydroxy-3',4',6'-trimethoxychalcone

Publication Number	Title	Priority Date
WO-2021185256-A1	Substituted pyrimidine or pyridine amine derivative, composition thereof, and medical use thereof	20200316
CA-3046588-A1	Pyrazolo[3,4-b]pyridines and imidazo[1,5-b]pyridazines as pde1 inhibitors	20161222
JP-2020502230-A	Pyrazolo [3,4-b] pyridine and imidazo [1,5-b] pyridazine as PDE1 inhibitors	20161222
KR-20190095301-A	Pyrazolo [3,4-b] pyridine and imidazo [1,5-b] pyridazine as PDE1 inhibitors	20161222
US-10351561-B2	Pyrazolo[3,4-b]pyridines and imidazo[1,5-b]pyridazines as PDE1 inhibitors	20161222

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
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.4