2,1,3-Benzoxadiazol-4-amine

C6H5N3OCAS 767-63-5135.13 g/mol

Open in Covalent MOL file
NH2NON
Primary amine

Properties

Molecular formula
C6H5N3O
Molar mass
135.13 g/mol
Exact mass
135.0433 Da
Melting point
110–111 °C
logP
0.81Crippen estimate
Polar surface area
64.9 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from the 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
767-63-5
SMILES
Nc1cccc2nonc12
InChIKey
IPCMVRZVNJHUHR-UHFFFAOYSA-N
InChI
InChI=1S/C6H5N3O/c7-4-2-1-3-5-6(4)9-10-8-5/h1-3H,7H2

Weigh it out

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Names and synonyms

5 names
  • Benzofurazan, 4-amino-
  • 4-Benzofurazanamine
  • 4-Aminobenzofurazan
  • 4-Amino-2,1,3-benzoxadiazole
  • 2,1,3-Benzooxadiazol-4-ylamine

Work with 2,1,3-Benzoxadiazol-4-amine

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

2,1,3-Benzothiadiazol-4-amine767-64-650 % similar 2,1,3-Benzoxadiazole-4-carboxaldehyde32863-32-448 % similar 2,1,3-Benzoxadiazole273-09-648 % similar 2,1,3-Benzoxadiazole-4-sulfonyl chloride114322-14-444 % similar 8-Aminoquinoline578-66-541 % similar 5-Aminoquinoline611-34-739 % similar 1H-Indazol-7-amine21443-96-938 % similar 8-Aminoquinaldine18978-78-437 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3H,4H-Pyrrolo[2,1-f][1,2,4]triazin-4-one159326-71-3 Furo[2,3-d]pyrimidin-4-amine186454-70-6 Hydroxybenzotriazole2592-95-2 4-Hydroxybenzotriazole26725-51-9 Pyrazolo[1,5-a]pyrimidin-5(1H)-one29274-22-4 7-Deazahypoxanthine3680-71-5 9-Deazahypoxanthine5655-01-6 1,2,4-Triazolo[4,3-a]pyridin-3(2H)-one6969-71-7

Elsewhere

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