chempirical

Letrozole

C17H11N5CAS 112809-51-5285.31 g/mol

Open in Covalent MOL file
NNNNN
Nitrile

Properties

Molecular formula
C17H11N5
Molar mass
285.31 g/mol
Exact mass
285.1014 Da
Melting point
181–183 °C
logP
2.66Crippen estimate
Polar surface area
78.3 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
3

Identifiers

CAS number
112809-51-5
SMILES
N#Cc1ccc(C(c2ccc(C#N)cc2)n2cncn2)cc1
InChIKey
HPJKCIUCZWXJDR-UHFFFAOYSA-N
InChI
InChI=1S/C17H11N5/c18-9-13-1-5-15(6-2-13)17(22-12-20-11-21-22)16-7-3-14(10-19)4-8-16/h1-8,11-12,17H

Weigh it out

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

Names and synonyms

12 names
  • Benzonitrile, 4,4′-(1H-1,2,4-triazol-1-ylmethylene)bis-
  • 4,4′-(1H-1,2,4-Triazol-1-ylmethylene)bis[benzonitrile]
  • CGS 20267
  • 4,4′-(1H-1,2,4-Triazol-1-ylmethylene)dibenzonitrile
  • Femara
  • Letrazole
  • Lerozole
  • 4-[1-(4-Cyanophenyl)-1-(1,2,4-triazol-1-yl)methyl]benzonitrile
  • Letroz
  • Letrof L lil
  • Letoripe
  • Letocor

Work with Letrozole

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

4-(1H-1,2,4-Triazol-1-ylmethyl)benzonitrile112809-25-350 % similar Bis(4-cyanophenyl)methanol134521-16-742 % similar 1,4-Dicyanobenzene623-26-740 % similar [1,1′-Biphenyl]-4,4′-dicarbonitrile1591-30-636 % similar 4-(trans-4-Ethylcyclohexyl)benzonitrile72928-54-234 % similar Benzonitrile100-47-033 % similar 4-Fluorobenzonitrile1194-02-133 % similar 4,4′-(1,4-Phenylenedi-2,1-ethenediyl)bis[benzonitrile]13001-40-633 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook