Letrozole

CAT: 1299-RM-L201500-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-L201500-02Size:25 mg

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CAS Number

112809-51-5

Synonyms

CGS 20267; Femara; Lerozole; Letrazole; 4,4'- ((1H-1,2,4-triazol-1-yl) methylene) dibenzonitrile

Molecular Formula

C17H11N5

Molecular Weight

285.3

Target Alternative Name

Letrozole

Product Name Synonym

CGS 20267; Femara; Lerozole; Letrazole; 4,4'- ((1H-1,2,4-triazol-1-yl) methylene) dibenzonitrile

Chemical Information

Letrozole

Letrozole is a nitrile and a member of triazoles. It has a role as an antineoplastic agent and an EC 1.14.14.14 (aromatase) inhibitor.

CAS Number	112809-51-5
PubChem CID	3902
IUPAC Name	4-[(4-cyanophenyl)-(1,2,4-triazol-1-yl)methyl]benzonitrile
Molecular Formula	C17H11N5
Molecular Weight	285.30
XLogP	2.7
Topological Polar Surface Area	78.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	22
Formal Charge	0
Complexity	420

SMILES

C1=CC(=CC=C1C#N)C(C2=CC=C(C=C2)C#N)N3C=NC=N3

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

InChIKey

HPJKCIUCZWXJDR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 112809-51-5

CID: 3902

Formula: C17H11N5

MW: 285.30

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	285.30
XLogP3	2.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	285.10144537
Monoisotopic Mass	285.10144537
Topological Polar Surface Area	78.3 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	420
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
A1307-5.1	Letrozole