4-Amino-1,2,5-oxadiazole-3-carboxylic acid

C₃H₃N₃O₃CAS 78350-50-2129.07 g/mol

Open in Covalent MOL file

Carboxylic acid Primary amine

Properties

Molecular formula: C₃H₃N₃O₃
Molar mass: 129.07 g/mol
Exact mass: 129.0174 Da
Melting point: 216–217 °C
logP: -0.65Crippen estimate
Polar surface area: 102.2 Å²
H-bond donors / acceptors: 2 / 5
Rotatable bonds: 1

Identifiers

CAS number

78350-50-2

SMILES

Nc1nonc1C(=O)O

InChIKey

YOXIXLVJYMCCIB-UHFFFAOYSA-N

InChI

InChI=1S/C3H3N3O3/c4-2-1(3(7)8)5-9-6-2/h(H2,4,6)(H,7,8)

Weigh it out

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

Names and synonyms

3 names

1,2,5-Oxadiazole-3-carboxylic acid, 4-amino-
Furazancarboxylic acid, amino-
4-Amino-3-furazancarboxylic acid

Work with 4-Amino-1,2,5-oxadiazole-3-carboxylic 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

3-Amino-2-pyrazinecarboxylic acid5424-01-150 % similar 3-Amino-6-bromo-2-pyrazinecarboxylic acid486424-37-742 % similar 3-Aminopicolinic acid1462-86-838 % similar 2,1,3-Benzoxadiazole-5-carboxylic acid19155-88-538 % similar 2-Aminonicotinic acid5345-47-138 % similar 5-Amino-1,2,3,6-tetrahydro-2,6-dioxo-4-pyrimidinecarboxylic acid7164-43-437 % similar Picloram1918-02-136 % similar 1-Methyl-1H-imidazole-4,5-dicarboxylic acid19485-38-235 % similar

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

Same formula

Cyanuric acid108-80-5

Elsewhere

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