1-benzyl-4-(4-chlorophenyl)triazole

C15H12ClN3 — CID 24809363

IUPAC1-benzyl-4-(4-chlorophenyl)triazole
SMILESClc1ccc(-c2cn(Cc3ccccc3)nn2)cc1
InChIInChI=1S/C15H12ClN3/c16-14-8-6-13(7-9-14)15-11-19(18-17-15)10-12-4-2-1-3-5-12/h1-9,11H,10H2
InChIKeyWKBLDPFSCPXQGP-UHFFFAOYSA-N
MW269.74 g/mol
LogP3.65
Rot. Bonds3

About 1-benzyl-4-(4-chlorophenyl)triazole

1-benzyl-4-(4-chlorophenyl)triazole (PubChem CID 24809363) has the molecular formula C15H12ClN3 and a molecular weight of 269.74 g/mol. Its IUPAC name is 1-benzyl-4-(4-chlorophenyl)triazole.

Molecular Properties

Compound Name1-benzyl-4-(4-chlorophenyl)triazole
PubChem CID24809363
Molecular FormulaC15H12ClN3
Molecular Weight269.74 g/mol
Exact Mass269.07
IUPAC Name1-benzyl-4-(4-chlorophenyl)triazole
SMILESClc1ccc(-c2cn(Cc3ccccc3)nn2)cc1
InChIInChI=1S/C15H12ClN3/c16-14-8-6-13(7-9-14)15-11-19(18-17-15)10-12-4-2-1-3-5-12/h1-9,11H,10H2
InChIKeyWKBLDPFSCPXQGP-UHFFFAOYSA-N
XLogP3.65
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.74
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(4-chlorophenyl)triazole?
The IUPAC name of 1-benzyl-4-(4-chlorophenyl)triazole (CID 24809363) is 1-benzyl-4-(4-chlorophenyl)triazole.
What is the SMILES notation for 1-benzyl-4-(4-chlorophenyl)triazole?
The canonical SMILES for 1-benzyl-4-(4-chlorophenyl)triazole is Clc1ccc(-c2cn(Cc3ccccc3)nn2)cc1.
What is the InChIKey of 1-benzyl-4-(4-chlorophenyl)triazole?
The InChIKey is WKBLDPFSCPXQGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3/c16-14-8-6-13(7-9-14)15-11-19(18-17-15)10-12-4-2-1-3-5-12/h1-9,11H,10H2.
What are the key properties of 1-benzyl-4-(4-chlorophenyl)triazole?
1-benzyl-4-(4-chlorophenyl)triazole has a molecular weight of 269.74 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(4-chlorophenyl)triazole is sourced from PubChem (CID 24809363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).