chempirical

Ethyl 1-hydroxy-1H-1,2,3-triazole-4-carboxylate

C5H7N3O3CAS 137156-41-3157.13 g/mol

Open in Covalent MOL file
OONNNOH
Ester

Properties

Molecular formula
C5H7N3O3
Molar mass
157.13 g/mol
Exact mass
157.0487 Da
logP
-0.31Crippen estimate
Polar surface area
77.2 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
137156-41-3
SMILES
CCOC(=O)C1=CN(N=N1)O
InChIKey
FIRHQRGFVOSDDY-UHFFFAOYSA-N
InChI
InChI=1S/C5H7N3O3/c1-2-11-5(9)4-3-8(10)7-6-4/h3,10H,2H2,1H3

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Work with Ethyl 1-hydroxy-1H-1,2,3-triazole-4-carboxylate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Diethyl 2,6-pyridinedicarboxylate15658-60-350 % similar Ethyl 1,2,3-thiadiazole-4-carboxylate3989-36-450 % similar Ethyl 6-chloro-3-pyridazinecarboxylate75680-92-148 % similar Ethyl 1,3-thiazole-4-carboxylate14527-43-646 % similar Ethyl oxazole-4-carboxylate23012-14-846 % similar Ethyl 2-pyridinecarboxylate2524-52-946 % similar Ethyl imidazo[1,2-a]pyridine-2-carboxylate38922-77-946 % similar Ethyl imidazo[1,2-A]pyrazine-2-carboxylate77112-52-846 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

5-Amino-1,3,4-oxadiazole-2-carboxylic acid ethyl ester4970-53-0 2-Hydroxymethyl-1-methyl-5-nitroimidazole936-05-0

Elsewhere

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