5-(4-chlorophenyl)-3-phenyl-1H-1,2,4-triazole

C14H10ClN3 — CID 4730488

IUPAC5-(4-chlorophenyl)-3-phenyl-1H-1,2,4-triazole
SMILESClc1ccc(-c2nc(-c3ccccc3)n[nH]2)cc1
InChIInChI=1S/C14H10ClN3/c15-12-8-6-11(7-9-12)14-16-13(17-18-14)10-4-2-1-3-5-10/h1-9H,(H,16,17,18)
InChIKeyUMZLKCCVHSQEQS-UHFFFAOYSA-N
MW255.71 g/mol
LogP3.79
Rot. Bonds2

About 5-(4-chlorophenyl)-3-phenyl-1H-1,2,4-triazole

5-(4-chlorophenyl)-3-phenyl-1H-1,2,4-triazole (PubChem CID 4730488) has the molecular formula C14H10ClN3 and a molecular weight of 255.71 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-3-phenyl-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-(4-chlorophenyl)-3-phenyl-1H-1,2,4-triazole
PubChem CID4730488
Molecular FormulaC14H10ClN3
Molecular Weight255.71 g/mol
Exact Mass255.06
IUPAC Name5-(4-chlorophenyl)-3-phenyl-1H-1,2,4-triazole
SMILESClc1ccc(-c2nc(-c3ccccc3)n[nH]2)cc1
InChIInChI=1S/C14H10ClN3/c15-12-8-6-11(7-9-12)14-16-13(17-18-14)10-4-2-1-3-5-10/h1-9H,(H,16,17,18)
InChIKeyUMZLKCCVHSQEQS-UHFFFAOYSA-N
XLogP3.79
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.71
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-3-phenyl-1H-1,2,4-triazole?
The IUPAC name of 5-(4-chlorophenyl)-3-phenyl-1H-1,2,4-triazole (CID 4730488) is 5-(4-chlorophenyl)-3-phenyl-1H-1,2,4-triazole.
What is the SMILES notation for 5-(4-chlorophenyl)-3-phenyl-1H-1,2,4-triazole?
The canonical SMILES for 5-(4-chlorophenyl)-3-phenyl-1H-1,2,4-triazole is Clc1ccc(-c2nc(-c3ccccc3)n[nH]2)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-3-phenyl-1H-1,2,4-triazole?
The InChIKey is UMZLKCCVHSQEQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3/c15-12-8-6-11(7-9-12)14-16-13(17-18-14)10-4-2-1-3-5-10/h1-9H,(H,16,17,18).
What are the key properties of 5-(4-chlorophenyl)-3-phenyl-1H-1,2,4-triazole?
5-(4-chlorophenyl)-3-phenyl-1H-1,2,4-triazole has a molecular weight of 255.71 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-3-phenyl-1H-1,2,4-triazole is sourced from PubChem (CID 4730488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).