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

C3H3N3O3CAS 78350-50-2129.07 g/mol

Open in Covalent MOL file
H2NNONOHO
Carboxylic acidPrimary 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 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
1

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
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 3,4-Diaminofurazan17220-38-144 % similar 3-Amino-6-chloropyrazine-2-carboxylic acid2727-13-142 % similar 3-Amino-6-bromo-2-pyrazinecarboxylic acid486424-37-742 % similar 1,2,3-Triazole-4,5-dicarboxylic acid4546-95-640 % similar 2,3-Pyrazinedicarboxylic acid89-01-040 % similar 3-Aminopicolinic acid1462-86-838 % similar 2,1,3-Benzoxadiazole-5-carboxylic acid19155-88-538 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Cyanuric acid108-80-5

Elsewhere

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