Letrozole

C₁₇H₁₁N₅CAS 112809-51-5285.31 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₇H₁₁N₅
Molar mass: 285.31 g/mol
Exact mass: 285.1014 Da
Melting point: 181–183 °C
Water solubility: practically insoluble
logP: 2.66Crippen estimate
Polar surface area: 78.3 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 3

Hazards

Danger

H315 Causes skin irritation29.5% of notifiers
H319 Causes serious eye irritation29.5% of notifiers
H351 Suspected of causing cancer15.9% of notifiers
H360 May damage fertility or the unborn child88.6% of notifiers
H373 May causes damage to organs through prolonged or repeated exposure63.6% of notifiers

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P260, P264, P264+P265, P280, P302+P352, P305+P351+P338, P318, P319, P321, P332+P317, P337+P317, P362+P364, P405, P501

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 4-(1H-Imidazol-1-yl)benzonitrile25372-03-639 % similar 4-Cyanopyridine100-48-138 % similar (1,1'-Biphenyl)-4,4'-dicarbonitrile1591-30-636 % similar 5-Cyanopyrimidine40805-79-634 % similar 4-(Methylthio)benzonitrile21382-98-934 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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