Ethyl 2-(2H-1,2,3,4-tetraazol-5-yl)acetate

C₅H₈N₄O₂CAS 13616-37-0156.15 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₅H₈N₄O₂
Molar mass: 156.15 g/mol
Exact mass: 156.0647 Da
logP: -0.69Crippen estimate
Polar surface area: 80.8 Å²
H-bond donors / acceptors: 1 / 5
Rotatable bonds: 3

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.6% of notifiers

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

13616-37-0

SMILES

CCOC(=O)CC1=NNN=N1

InChIKey

NAOHMNNTUFFTBF-UHFFFAOYSA-N

InChI

InChI=1S/C5H8N4O2/c1-2-11-5(10)3-4-6-8-9-7-4/h2-3H2,1H3,(H,6,7,8,9)

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Names and synonyms

1 names

Ethyl 1H-tetrazole-5-acetate

Work with Ethyl 2-(2H-1,2,3,4-tetraazol-5-yl)acetate

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 tetrazole-5-carboxylate55408-10-153 % similar Tetrazole-5-acetic acid21743-75-950 % similar Ethyl 4-pyridineacetate54401-85-345 % similar Ethyl phenylacetate101-97-344 % similar Ethyl mercaptoacetate623-51-843 % similar Diethyl malonate105-53-342 % similar Diethyl succinate123-25-142 % similar Ethyl 2-pyridylacetate2739-98-242 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Amino-4,6-dimethoxy-1,3,5-triazine16370-63-1 5,6-Diamino-1-methyluracil6972-82-3

Elsewhere

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