4-(4-fluorophenyl)-2-(triazol-1-yl)benzonitrile

C15H9FN4 — CID 168965609

IUPAC4-(4-fluorophenyl)-2-(triazol-1-yl)benzonitrile
SMILESN#Cc1ccc(-c2ccc(F)cc2)cc1-n1ccnn1
InChIInChI=1S/C15H9FN4/c16-14-5-3-11(4-6-14)12-1-2-13(10-17)15(9-12)20-8-7-18-19-20/h1-9H
InChIKeyOZRUMGFWEKLVSP-UHFFFAOYSA-N
MW264.26 g/mol
LogP2.95
Rot. Bonds2

About 4-(4-fluorophenyl)-2-(triazol-1-yl)benzonitrile

4-(4-fluorophenyl)-2-(triazol-1-yl)benzonitrile (PubChem CID 168965609) has the molecular formula C15H9FN4 and a molecular weight of 264.26 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-2-(triazol-1-yl)benzonitrile.

Molecular Properties

Compound Name4-(4-fluorophenyl)-2-(triazol-1-yl)benzonitrile
PubChem CID168965609
Molecular FormulaC15H9FN4
Molecular Weight264.26 g/mol
Exact Mass264.08
IUPAC Name4-(4-fluorophenyl)-2-(triazol-1-yl)benzonitrile
SMILESN#Cc1ccc(-c2ccc(F)cc2)cc1-n1ccnn1
InChIInChI=1S/C15H9FN4/c16-14-5-3-11(4-6-14)12-1-2-13(10-17)15(9-12)20-8-7-18-19-20/h1-9H
InChIKeyOZRUMGFWEKLVSP-UHFFFAOYSA-N
XLogP2.95
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.26
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-2-(triazol-1-yl)benzonitrile?
The IUPAC name of 4-(4-fluorophenyl)-2-(triazol-1-yl)benzonitrile (CID 168965609) is 4-(4-fluorophenyl)-2-(triazol-1-yl)benzonitrile.
What is the SMILES notation for 4-(4-fluorophenyl)-2-(triazol-1-yl)benzonitrile?
The canonical SMILES for 4-(4-fluorophenyl)-2-(triazol-1-yl)benzonitrile is N#Cc1ccc(-c2ccc(F)cc2)cc1-n1ccnn1.
What is the InChIKey of 4-(4-fluorophenyl)-2-(triazol-1-yl)benzonitrile?
The InChIKey is OZRUMGFWEKLVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9FN4/c16-14-5-3-11(4-6-14)12-1-2-13(10-17)15(9-12)20-8-7-18-19-20/h1-9H.
What are the key properties of 4-(4-fluorophenyl)-2-(triazol-1-yl)benzonitrile?
4-(4-fluorophenyl)-2-(triazol-1-yl)benzonitrile has a molecular weight of 264.26 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-2-(triazol-1-yl)benzonitrile is sourced from PubChem (CID 168965609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).