chempirical

1H-Tetrazole-1-acetic acid

C3H4N4O2CAS 21732-17-2128.09 g/mol

Open in Covalent MOL file
OHONNNN
Carboxylic acid

Properties

Molecular formula
C3H4N4O2
Molar mass
128.09 g/mol
Exact mass
128.0334 Da
Melting point
128.2–129.2 °C
logP
-1.24Crippen estimate
Polar surface area
80.9 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
2

Identifiers

CAS number
21732-17-2
SMILES
O=C(O)Cn1cnnn1
InChIKey
GRWAIJBHBCCLGS-UHFFFAOYSA-N
InChI
InChI=1S/C3H4N4O2/c8-3(9)1-7-2-4-5-6-7/h2H,1H2,(H,8,9)

Weigh it out

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

Names and synonyms

7 names
  • 1-Tetrazoleacetic acid
  • 1-Tetrazolylacetic acid
  • 1H-Tetrazol-1-ylacetic acid
  • 2-(1H-Tetrazol-1-yl)acetic acid
  • 2-(1H-1,2,3,4-Tetrazol-1-yl)acetic acid
  • 2-(Tetrazol-1-yl)acetic acid
  • 1H-Tetraazol-1-ylacetic acid

Work with 1H-Tetrazole-1-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

1H-Imidazole-1-acetic acid22884-10-243 % similar 2,5-Dihydro-5-thioxo-1H-tetrazole-1-acetic acid57658-36-339 % similar 3,5-Dimethyl-1H-pyrazole-1-acetic acid16034-49-434 % similar Bromoacetic acid79-08-333 % similar 3,5-Diiodo-4-oxo-1(4H)-pyridineacetic acid101-29-133 % similar 3,5-Dichloro-4-oxo-1(4H)-pyridineacetic acid56187-37-233 % similar Succinic acid110-15-632 % similar 1H-Indole-1-acetic acid24297-59-432 % similar

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

Same formula

Tetrazole-5-acetic acid21743-75-9 3-Amino-1,2,4-triazole-5-carboxylic acid3641-13-2 Ammelide645-93-2

Elsewhere

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