Ethyl tetrazole-5-carboxylate

C₄H₆N₄O₂CAS 55408-10-1142.12 g/mol

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Properties

Molecular formula: C₄H₆N₄O₂
Molar mass: 142.12 g/mol
Exact mass: 142.0491 Da
logP: -0.62Crippen estimate
Polar surface area: 80.8 Å²
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

55408-10-1

SMILES

CCOC(=O)C1=NNN=N1

InChIKey

JBEHAOGLPHSQSL-UHFFFAOYSA-N

InChI

InChI=1S/C4H6N4O2/c1-2-10-4(9)3-5-7-8-6-3/h2H2,1H3,(H,5,6,7,8)

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Names and synonyms

1 names

1H-Tetrazole-5-carboxylic acid, ethyl ester

Work with Ethyl tetrazole-5-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

Ethyl 2-(2H-1,2,3,4-tetraazol-5-yl)acetate13616-37-053 % similar 3,5-(Diethoxycarbonyl)-1H-pyrazole37687-24-445 % similar Triethyl 1,3,5-benzenetricarboxylate4105-92-444 % similar Diethyl terephthalate636-09-944 % similar 5-Methyl-1H-pyrazole-3-carboxylic acid ethyl ester4027-57-044 % similar Ethyl 3-methylpyrazole-4-carboxylate85290-78-444 % similar Ethyl 5-amino-1H-pyrazole-3-carboxylate105434-90-043 % similar Ethyl 3,5-diamino-1H-pyrazole-4-carboxylate6825-71-443 % similar

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

Same formula

5,6-Diaminouracil3240-72-0 Methyl 5-amino-1H-1,2,4-triazole-3-carboxylate3641-14-3 2,5-Diamino-4,6-dihydroxypyrimidine40769-69-5 Glycoluril496-46-8

Elsewhere

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