5-(4-chlorophenyl)-1-(2-fluorophenyl)triazole-4-carbonitrile

C15H8ClFN4 — CID 82196524

IUPAC5-(4-chlorophenyl)-1-(2-fluorophenyl)triazole-4-carbonitrile
SMILESN#Cc1nnn(-c2ccccc2F)c1-c1ccc(Cl)cc1
InChIInChI=1S/C15H8ClFN4/c16-11-7-5-10(6-8-11)15-13(9-18)19-20-21(15)14-4-2-1-3-12(14)17/h1-8H
InChIKeyFMBCAPMHBDADMZ-UHFFFAOYSA-N
MW298.71 g/mol
LogP3.60
Rot. Bonds2

About 5-(4-chlorophenyl)-1-(2-fluorophenyl)triazole-4-carbonitrile

5-(4-chlorophenyl)-1-(2-fluorophenyl)triazole-4-carbonitrile (PubChem CID 82196524) has the molecular formula C15H8ClFN4 and a molecular weight of 298.71 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-1-(2-fluorophenyl)triazole-4-carbonitrile.

Molecular Properties

Compound Name5-(4-chlorophenyl)-1-(2-fluorophenyl)triazole-4-carbonitrile
PubChem CID82196524
Molecular FormulaC15H8ClFN4
Molecular Weight298.71 g/mol
Exact Mass298.04
IUPAC Name5-(4-chlorophenyl)-1-(2-fluorophenyl)triazole-4-carbonitrile
SMILESN#Cc1nnn(-c2ccccc2F)c1-c1ccc(Cl)cc1
InChIInChI=1S/C15H8ClFN4/c16-11-7-5-10(6-8-11)15-13(9-18)19-20-21(15)14-4-2-1-3-12(14)17/h1-8H
InChIKeyFMBCAPMHBDADMZ-UHFFFAOYSA-N
XLogP3.60
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.71
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-1-(2-fluorophenyl)triazole-4-carbonitrile?
The IUPAC name of 5-(4-chlorophenyl)-1-(2-fluorophenyl)triazole-4-carbonitrile (CID 82196524) is 5-(4-chlorophenyl)-1-(2-fluorophenyl)triazole-4-carbonitrile.
What is the SMILES notation for 5-(4-chlorophenyl)-1-(2-fluorophenyl)triazole-4-carbonitrile?
The canonical SMILES for 5-(4-chlorophenyl)-1-(2-fluorophenyl)triazole-4-carbonitrile is N#Cc1nnn(-c2ccccc2F)c1-c1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-1-(2-fluorophenyl)triazole-4-carbonitrile?
The InChIKey is FMBCAPMHBDADMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8ClFN4/c16-11-7-5-10(6-8-11)15-13(9-18)19-20-21(15)14-4-2-1-3-12(14)17/h1-8H.
What are the key properties of 5-(4-chlorophenyl)-1-(2-fluorophenyl)triazole-4-carbonitrile?
5-(4-chlorophenyl)-1-(2-fluorophenyl)triazole-4-carbonitrile has a molecular weight of 298.71 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-1-(2-fluorophenyl)triazole-4-carbonitrile is sourced from PubChem (CID 82196524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).