8-Amino-4-oxo-2-(tetrazol-5-yl)-4H-1-benzopyran

C₁₀H₇N₅O₂CAS 110683-22-2229.20 g/mol

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Properties

Molecular formula: C₁₀H₇N₅O₂
Molar mass: 229.20 g/mol
Exact mass: 229.0600 Da
logP: 0.56Crippen estimate
Polar surface area: 110.7 Å²
H-bond donors / acceptors: 2 / 6
Rotatable bonds: 1

Identifiers

CAS number

110683-22-2

SMILES

C1=CC2=C(C(=C1)N)OC(=CC2=O)C3=NNN=N3

InChIKey

GSZQAIJMONCDFZ-UHFFFAOYSA-N

InChI

InChI=1S/C10H7N5O2/c11-6-3-1-2-5-7(16)4-8(17-9(5)6)10-12-14-15-13-10/h1-4H,11H2,(H,12,13,14,15)

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Names and synonyms

1 names

8-Amino-2-(2H-tetrazol-5-yl)-4H-1-benzopyran-4-one

Work with 8-Amino-4-oxo-2-(tetrazol-5-yl)-4H-1-benzopyran

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

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

Elsewhere

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