Tetrazole-5-acetic acid

C3H4N4O2CAS 21743-75-9128.09 g/mol

Open in Covalent MOL file
OHONNNHN
Carboxylic acid

Properties

Molecular formula
C3H4N4O2
Molar mass
128.09 g/mol
Exact mass
128.0334 Da
Melting point
127 °C
logP
-1.17Crippen estimate
Polar surface area
91.8 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 42 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
21743-75-9
SMILES
O=C(O)Cc1nn[nH]n1
InChIKey
JUNAPQMUUHSYOV-UHFFFAOYSA-N
InChI
InChI=1S/C3H4N4O2/c8-3(9)1-2-4-6-7-5-2/h1H2,(H,8,9)(H,4,5,6,7)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

11 names
  • 2H-Tetrazole-5-acetic acid
  • 1H-Tetrazole-5-acetic acid
  • NSC 282047
  • (1H-Tetrazol-5-yl)acetic acid
  • 1,2,3,4-Tetrazole-5-acetic acid
  • (2H-Tetrazol-5-yl)acetic acid
  • 2-(2H-Tetrazol-5-yl)acetic acid
  • 2-(1H-Tetrazol-5-yl)acetic acid
  • 2-(1H-1,2,3,4-Tetrazol-5-yl)acetic acid
  • 1H-Tetraazol-5-ylacetic acid
  • 2-(2H-1,2,3,4-Tetrazol-5-yl)acetic acid

Work with Tetrazole-5-acetic acid

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)acetate13616-37-050 % similar 5-Chloromethyl-1H-tetrazole55408-11-243 % similar 5-(2-Chloroethyl)-2H-tetrazole18755-46-941 % similar 1,4-Benzenediacetic acid7325-46-440 % similar 1H-Imidazole-5-acetic acid645-65-839 % similar 4-Pyridineacetic acid28356-58-338 % similar 2-(Pyrimidin-5-yl)acetic acid5267-07-238 % similar 1,2-Benzenediacetic acid7500-53-038 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1H-Tetrazole-1-acetic acid21732-17-2 3-Amino-1,2,4-triazole-5-carboxylic acid3641-13-2 Ammelide645-93-2

Elsewhere

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