5-[4-(2H-Tetrazol-5-yl)phenyl]-2H-tetrazole

C₈H₆N₈CAS 6926-49-4214.19 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₆N₈
Molar mass: 214.19 g/mol
Exact mass: 214.0715 Da
logP: 0.05Crippen estimate
Polar surface area: 108.9 Å²
H-bond donors / acceptors: 2 / 6
Rotatable bonds: 2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

6926-49-4

SMILES

C1=CC(=CC=C1C2=NNN=N2)C3=NNN=N3

InChIKey

TUSPQFBMQKZVAL-UHFFFAOYSA-N

InChI

InChI=1S/C8H6N8/c1-2-6(8-11-15-16-12-8)4-3-5(1)7-9-13-14-10-7/h1-4H,(H,9,10,13,14)(H,11,12,15,16)

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Work with 5-[4-(2H-Tetrazol-5-yl)phenyl]-2H-tetrazole

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

5-Phenyltetrazole18039-42-477 % similar 5-(4-Methylphenyl)-2H-tetrazole24994-04-575 % similar 5-(4-Fluorophenyl)-1H-tetrazole50907-21-675 % similar 5-(4-Bromophenyl)-2H-tetrazole50907-23-875 % similar 5-(4-Pyridyl)-1H-tetrazole14389-12-974 % similar 5-[4-(Trifluoromethyl)phenyl]-1H-tetrazole2251-79-867 % similar 5-(4-Methoxyphenyl)-2H-tetrazole6926-51-867 % similar 4-(1H-Tetrazol-5-yl)benzaldehyde74815-22-867 % similar

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

Elsewhere

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