1-(4-chlorophenyl)-5-(4-methylphenyl)-1,2,4-triazole

C15H12ClN3 — CID 870002

IUPAC1-(4-chlorophenyl)-5-(4-methylphenyl)-1,2,4-triazole
SMILESCc1ccc(-c2ncnn2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H12ClN3/c1-11-2-4-12(5-3-11)15-17-10-18-19(15)14-8-6-13(16)7-9-14/h2-10H,1H3
InChIKeyVQKRQDFLDDAHGP-UHFFFAOYSA-N
MW269.74 g/mol
LogP3.90
Rot. Bonds2

About 1-(4-chlorophenyl)-5-(4-methylphenyl)-1,2,4-triazole

1-(4-chlorophenyl)-5-(4-methylphenyl)-1,2,4-triazole (PubChem CID 870002) has the molecular formula C15H12ClN3 and a molecular weight of 269.74 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-5-(4-methylphenyl)-1,2,4-triazole.

Molecular Properties

Compound Name1-(4-chlorophenyl)-5-(4-methylphenyl)-1,2,4-triazole
PubChem CID870002
Molecular FormulaC15H12ClN3
Molecular Weight269.74 g/mol
Exact Mass269.07
IUPAC Name1-(4-chlorophenyl)-5-(4-methylphenyl)-1,2,4-triazole
SMILESCc1ccc(-c2ncnn2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H12ClN3/c1-11-2-4-12(5-3-11)15-17-10-18-19(15)14-8-6-13(16)7-9-14/h2-10H,1H3
InChIKeyVQKRQDFLDDAHGP-UHFFFAOYSA-N
XLogP3.90
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.74
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-5-(4-methylphenyl)-1,2,4-triazole?
The IUPAC name of 1-(4-chlorophenyl)-5-(4-methylphenyl)-1,2,4-triazole (CID 870002) is 1-(4-chlorophenyl)-5-(4-methylphenyl)-1,2,4-triazole.
What is the SMILES notation for 1-(4-chlorophenyl)-5-(4-methylphenyl)-1,2,4-triazole?
The canonical SMILES for 1-(4-chlorophenyl)-5-(4-methylphenyl)-1,2,4-triazole is Cc1ccc(-c2ncnn2-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-5-(4-methylphenyl)-1,2,4-triazole?
The InChIKey is VQKRQDFLDDAHGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3/c1-11-2-4-12(5-3-11)15-17-10-18-19(15)14-8-6-13(16)7-9-14/h2-10H,1H3.
What are the key properties of 1-(4-chlorophenyl)-5-(4-methylphenyl)-1,2,4-triazole?
1-(4-chlorophenyl)-5-(4-methylphenyl)-1,2,4-triazole has a molecular weight of 269.74 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-5-(4-methylphenyl)-1,2,4-triazole is sourced from PubChem (CID 870002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).