Molecular Identity
Letrozole
4-[(4-cyanophenyl)-(1,2,4-triazol-1-yl)methyl]benzonitrile
PubChem CID: 3902
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.
2D Structure
Properties
C17H11N5
Molecular Formula
285.30
Molecular Weight
g/mol
285.1014
Exact Mass
Da
2.7
XLogP
Drug-like (Lipinski: < 5)
78.3
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
4
H-Bond Acceptors
420
Complexity
SMILES
Canonical SMILES
SMILES: C1=CC(=CC=C1C#N)C(C2=CC=C(C=C2)C#N)N3C=NC=N3Isomeric SMILES
SMILES: C1=CC(=CC=C1C#N)C(C2=CC=C(C=C2)C#N)N3C=NC=N3Synonyms(20)
letrozole112809-51-5FemaraLetrozolCGS 20267CGS-202674-[(4-cyanophenyl)-(1,2,4-triazol-1-yl)methyl]benzonitrileBenzonitrile, 4,4'-(1H-1,2,4-triazol-1-ylmethylene)bis-DTXSID40232024,4'-(1H-1,2,4-Triazol-1-ylmethylene)dibenzonitrileCGS20267NSC-7596527LKK855W8I4-[(4-CYANOPHENYL)(1H-1,2,4-TRIAZOL-1-YL)METHYL]BENZONITRILECHEBI:6413
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Letrozole
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