5-[4-(2-fluorophenyl)phenyl]-2H-triazole-4-carbonitrile

C15H9FN4 — CID 122479332

IUPAC5-[4-(2-fluorophenyl)phenyl]-2H-triazole-4-carbonitrile
SMILESN#Cc1n[nH]nc1-c1ccc(-c2ccccc2F)cc1
InChIInChI=1S/C15H9FN4/c16-13-4-2-1-3-12(13)10-5-7-11(8-6-10)15-14(9-17)18-20-19-15/h1-8H,(H,18,19,20)
InChIKeyYPGIWORICJTCHY-UHFFFAOYSA-N
MW264.26 g/mol
LogP3.15
Rot. Bonds2

About 5-[4-(2-fluorophenyl)phenyl]-2H-triazole-4-carbonitrile

5-[4-(2-fluorophenyl)phenyl]-2H-triazole-4-carbonitrile (PubChem CID 122479332) has the molecular formula C15H9FN4 and a molecular weight of 264.26 g/mol. Its IUPAC name is 5-[4-(2-fluorophenyl)phenyl]-2H-triazole-4-carbonitrile.

Molecular Properties

Compound Name5-[4-(2-fluorophenyl)phenyl]-2H-triazole-4-carbonitrile
PubChem CID122479332
Molecular FormulaC15H9FN4
Molecular Weight264.26 g/mol
Exact Mass264.08
IUPAC Name5-[4-(2-fluorophenyl)phenyl]-2H-triazole-4-carbonitrile
SMILESN#Cc1n[nH]nc1-c1ccc(-c2ccccc2F)cc1
InChIInChI=1S/C15H9FN4/c16-13-4-2-1-3-12(13)10-5-7-11(8-6-10)15-14(9-17)18-20-19-15/h1-8H,(H,18,19,20)
InChIKeyYPGIWORICJTCHY-UHFFFAOYSA-N
XLogP3.15
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.26
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-fluorophenyl)phenyl]-2H-triazole-4-carbonitrile?
The IUPAC name of 5-[4-(2-fluorophenyl)phenyl]-2H-triazole-4-carbonitrile (CID 122479332) is 5-[4-(2-fluorophenyl)phenyl]-2H-triazole-4-carbonitrile.
What is the SMILES notation for 5-[4-(2-fluorophenyl)phenyl]-2H-triazole-4-carbonitrile?
The canonical SMILES for 5-[4-(2-fluorophenyl)phenyl]-2H-triazole-4-carbonitrile is N#Cc1n[nH]nc1-c1ccc(-c2ccccc2F)cc1.
What is the InChIKey of 5-[4-(2-fluorophenyl)phenyl]-2H-triazole-4-carbonitrile?
The InChIKey is YPGIWORICJTCHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9FN4/c16-13-4-2-1-3-12(13)10-5-7-11(8-6-10)15-14(9-17)18-20-19-15/h1-8H,(H,18,19,20).
What are the key properties of 5-[4-(2-fluorophenyl)phenyl]-2H-triazole-4-carbonitrile?
5-[4-(2-fluorophenyl)phenyl]-2H-triazole-4-carbonitrile has a molecular weight of 264.26 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-fluorophenyl)phenyl]-2H-triazole-4-carbonitrile is sourced from PubChem (CID 122479332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).