1-(4-chlorophenyl)-5-phenyltriazole-4-carbonitrile

C15H9ClN4 — CID 82200767

IUPAC1-(4-chlorophenyl)-5-phenyltriazole-4-carbonitrile
SMILESN#Cc1nnn(-c2ccc(Cl)cc2)c1-c1ccccc1
InChIInChI=1S/C15H9ClN4/c16-12-6-8-13(9-7-12)20-15(14(10-17)18-19-20)11-4-2-1-3-5-11/h1-9H
InChIKeyAXPIXNWORSCMAI-UHFFFAOYSA-N
MW280.72 g/mol
LogP3.46
Rot. Bonds2

About 1-(4-chlorophenyl)-5-phenyltriazole-4-carbonitrile

1-(4-chlorophenyl)-5-phenyltriazole-4-carbonitrile (PubChem CID 82200767) has the molecular formula C15H9ClN4 and a molecular weight of 280.72 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-5-phenyltriazole-4-carbonitrile.

Molecular Properties

Compound Name1-(4-chlorophenyl)-5-phenyltriazole-4-carbonitrile
PubChem CID82200767
Molecular FormulaC15H9ClN4
Molecular Weight280.72 g/mol
Exact Mass280.05
IUPAC Name1-(4-chlorophenyl)-5-phenyltriazole-4-carbonitrile
SMILESN#Cc1nnn(-c2ccc(Cl)cc2)c1-c1ccccc1
InChIInChI=1S/C15H9ClN4/c16-12-6-8-13(9-7-12)20-15(14(10-17)18-19-20)11-4-2-1-3-5-11/h1-9H
InChIKeyAXPIXNWORSCMAI-UHFFFAOYSA-N
XLogP3.46
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.72
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-5-phenyltriazole-4-carbonitrile?
The IUPAC name of 1-(4-chlorophenyl)-5-phenyltriazole-4-carbonitrile (CID 82200767) is 1-(4-chlorophenyl)-5-phenyltriazole-4-carbonitrile.
What is the SMILES notation for 1-(4-chlorophenyl)-5-phenyltriazole-4-carbonitrile?
The canonical SMILES for 1-(4-chlorophenyl)-5-phenyltriazole-4-carbonitrile is N#Cc1nnn(-c2ccc(Cl)cc2)c1-c1ccccc1.
What is the InChIKey of 1-(4-chlorophenyl)-5-phenyltriazole-4-carbonitrile?
The InChIKey is AXPIXNWORSCMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClN4/c16-12-6-8-13(9-7-12)20-15(14(10-17)18-19-20)11-4-2-1-3-5-11/h1-9H.
What are the key properties of 1-(4-chlorophenyl)-5-phenyltriazole-4-carbonitrile?
1-(4-chlorophenyl)-5-phenyltriazole-4-carbonitrile has a molecular weight of 280.72 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-5-phenyltriazole-4-carbonitrile is sourced from PubChem (CID 82200767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).