4-(4-fluorophenyl)-3-(2H-triazol-4-yl)benzonitrile

C15H9FN4 — CID 175920836

IUPAC4-(4-fluorophenyl)-3-(2H-triazol-4-yl)benzonitrile
SMILESN#Cc1ccc(-c2ccc(F)cc2)c(-c2cn[nH]n2)c1
InChIInChI=1S/C15H9FN4/c16-12-4-2-11(3-5-12)13-6-1-10(8-17)7-14(13)15-9-18-20-19-15/h1-7,9H,(H,18,19,20)
InChIKeyJPJGZUWFSVIXSJ-UHFFFAOYSA-N
MW264.26 g/mol
LogP3.15
Rot. Bonds2

About 4-(4-fluorophenyl)-3-(2H-triazol-4-yl)benzonitrile

4-(4-fluorophenyl)-3-(2H-triazol-4-yl)benzonitrile (PubChem CID 175920836) has the molecular formula C15H9FN4 and a molecular weight of 264.26 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-3-(2H-triazol-4-yl)benzonitrile.

Molecular Properties

Compound Name4-(4-fluorophenyl)-3-(2H-triazol-4-yl)benzonitrile
PubChem CID175920836
Molecular FormulaC15H9FN4
Molecular Weight264.26 g/mol
Exact Mass264.08
IUPAC Name4-(4-fluorophenyl)-3-(2H-triazol-4-yl)benzonitrile
SMILESN#Cc1ccc(-c2ccc(F)cc2)c(-c2cn[nH]n2)c1
InChIInChI=1S/C15H9FN4/c16-12-4-2-11(3-5-12)13-6-1-10(8-17)7-14(13)15-9-18-20-19-15/h1-7,9H,(H,18,19,20)
InChIKeyJPJGZUWFSVIXSJ-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 4-(4-fluorophenyl)-3-(2H-triazol-4-yl)benzonitrile?
The IUPAC name of 4-(4-fluorophenyl)-3-(2H-triazol-4-yl)benzonitrile (CID 175920836) is 4-(4-fluorophenyl)-3-(2H-triazol-4-yl)benzonitrile.
What is the SMILES notation for 4-(4-fluorophenyl)-3-(2H-triazol-4-yl)benzonitrile?
The canonical SMILES for 4-(4-fluorophenyl)-3-(2H-triazol-4-yl)benzonitrile is N#Cc1ccc(-c2ccc(F)cc2)c(-c2cn[nH]n2)c1.
What is the InChIKey of 4-(4-fluorophenyl)-3-(2H-triazol-4-yl)benzonitrile?
The InChIKey is JPJGZUWFSVIXSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9FN4/c16-12-4-2-11(3-5-12)13-6-1-10(8-17)7-14(13)15-9-18-20-19-15/h1-7,9H,(H,18,19,20).
What are the key properties of 4-(4-fluorophenyl)-3-(2H-triazol-4-yl)benzonitrile?
4-(4-fluorophenyl)-3-(2H-triazol-4-yl)benzonitrile 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 4-(4-fluorophenyl)-3-(2H-triazol-4-yl)benzonitrile is sourced from PubChem (CID 175920836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).