chempirical

1,2,3-Benzotriazin-4(3H)-one

C7H5N3OCAS 90-16-4147.14 g/mol

Open in Covalent MOL file
OHNNN
Phenol

Properties

Molecular formula
C7H5N3O
Molar mass
147.14 g/mol
Exact mass
147.0433 Da
Melting point
210 °C (decomposes)
logP
0.73Crippen estimate
Polar surface area
58.9 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
0

Identifiers

CAS number
90-16-4
SMILES
Oc1nnnc2ccccc12
InChIKey
DMSSTTLDFWKBSX-UHFFFAOYSA-N
InChI
InChI=1S/C7H5N3O/c11-7-5-3-1-2-4-6(5)8-10-9-7/h1-4H,(H,8,9,11)

Weigh it out

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

Names and synonyms

12 names
  • 1,2,3-Benzotriazin-4(1H)-one
  • Benzazimide
  • Benzazimidone
  • 4-Ketobenz-1,2,3-triazine
  • 3,4-Dihydro-4-oxo-1,2,3-benzotriazine
  • NSC 13563
  • NSC 20121
  • Benzo[d][1,2,3]triazin-4(3H)-one
  • 1,4-Dihydro-1,2,3-benzotriazin-4-one
  • 1H-Benzo[d][1,2,3]triazin-4-one
  • 1H-1,2,3-Benzotriazin-4-one
  • 3,4-Dihydro-1,2,3-benzotriazin-4-one

Work with 1,2,3-Benzotriazin-4(3H)-one

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

2,3-Dihydro-1,4-phthalazinedione1445-69-858 % similar Quinazolinone491-36-152 % similar Benzo(C)cinnoline230-17-150 % similar 6(5H)-Phenanthridinone1015-89-048 % similar 2-Mercapto-4(3H)-quinazolinone13906-09-747 % similar 1(2H)-Phthalazinone119-39-147 % similar 1(2H)-Isoquinolinone491-30-539 % similar Benzisothiazolinone2634-33-538 % similar

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

Elsewhere

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