1-[bis(4-chlorophenyl)methyl]-1,2,4-triazole

C15H11Cl2N3 — CID 4207739

IUPAC1-[bis(4-chlorophenyl)methyl]-1,2,4-triazole
SMILESClc1ccc(C(c2ccc(Cl)cc2)n2cncn2)cc1
InChIInChI=1S/C15H11Cl2N3/c16-13-5-1-11(2-6-13)15(20-10-18-9-19-20)12-3-7-14(17)8-4-12/h1-10,15H
InChIKeyUZDYDLXXMIVUMU-UHFFFAOYSA-N
MW304.18 g/mol
LogP4.22
Rot. Bonds3

About 1-[bis(4-chlorophenyl)methyl]-1,2,4-triazole

1-[bis(4-chlorophenyl)methyl]-1,2,4-triazole (PubChem CID 4207739) has the molecular formula C15H11Cl2N3 and a molecular weight of 304.18 g/mol. Its IUPAC name is 1-[bis(4-chlorophenyl)methyl]-1,2,4-triazole.

Molecular Properties

Compound Name1-[bis(4-chlorophenyl)methyl]-1,2,4-triazole
PubChem CID4207739
Molecular FormulaC15H11Cl2N3
Molecular Weight304.18 g/mol
Exact Mass303.03
IUPAC Name1-[bis(4-chlorophenyl)methyl]-1,2,4-triazole
SMILESClc1ccc(C(c2ccc(Cl)cc2)n2cncn2)cc1
InChIInChI=1S/C15H11Cl2N3/c16-13-5-1-11(2-6-13)15(20-10-18-9-19-20)12-3-7-14(17)8-4-12/h1-10,15H
InChIKeyUZDYDLXXMIVUMU-UHFFFAOYSA-N
XLogP4.22
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.18
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[bis(4-chlorophenyl)methyl]-1,2,4-triazole?
The IUPAC name of 1-[bis(4-chlorophenyl)methyl]-1,2,4-triazole (CID 4207739) is 1-[bis(4-chlorophenyl)methyl]-1,2,4-triazole.
What is the SMILES notation for 1-[bis(4-chlorophenyl)methyl]-1,2,4-triazole?
The canonical SMILES for 1-[bis(4-chlorophenyl)methyl]-1,2,4-triazole is Clc1ccc(C(c2ccc(Cl)cc2)n2cncn2)cc1.
What is the InChIKey of 1-[bis(4-chlorophenyl)methyl]-1,2,4-triazole?
The InChIKey is UZDYDLXXMIVUMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2N3/c16-13-5-1-11(2-6-13)15(20-10-18-9-19-20)12-3-7-14(17)8-4-12/h1-10,15H.
What are the key properties of 1-[bis(4-chlorophenyl)methyl]-1,2,4-triazole?
1-[bis(4-chlorophenyl)methyl]-1,2,4-triazole has a molecular weight of 304.18 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(4-chlorophenyl)methyl]-1,2,4-triazole is sourced from PubChem (CID 4207739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).