chempirical

5-(4-Chlorobutyl)-1-cyclohexyl-1H-tetrazole

C11H19ClN4CAS 73963-42-5242.75 g/mol

Open in Covalent MOL file
ClNNNN
Alkyl halide

Properties

Molecular formula
C11H19ClN4
Molar mass
242.75 g/mol
Exact mass
242.1298 Da
Melting point
84.5–86.5 °C
logP
2.74Crippen estimate
Polar surface area
43.6 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
5

Identifiers

CAS number
73963-42-5
SMILES
ClCCCCc1nnnn1C1CCCCC1
InChIKey
INTQSGGUSUSCTJ-UHFFFAOYSA-N
InChI
InChI=1S/C11H19ClN4/c12-9-5-4-8-11-13-14-15-16(11)10-6-2-1-3-7-10/h10H,1-9H2

Weigh it out

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Names and synonyms

3 names
  • 1H-Tetrazole, 5-(4-chlorobutyl)-1-cyclohexyl-
  • 1-Cyclohexyl-5-(4-chlorobutyl)-1,2,3,4-tetrazole
  • 1-Cyclohexyl-5-(4-chlorobutyl)tetrazole

Work with 5-(4-Chlorobutyl)-1-cyclohexyl-1H-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

Cilostazol73963-72-141 % similar Pentylenetetrazole54-95-539 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook