5-benzyl-1-(2,3-dichlorophenyl)-1,2,4-triazole

C15H11Cl2N3 — CID 16678904

IUPAC5-benzyl-1-(2,3-dichlorophenyl)-1,2,4-triazole
SMILESClc1cccc(-n2ncnc2Cc2ccccc2)c1Cl
InChIInChI=1S/C15H11Cl2N3/c16-12-7-4-8-13(15(12)17)20-14(18-10-19-20)9-11-5-2-1-3-6-11/h1-8,10H,9H2
InChIKeyCCZUQXSFOINFTJ-UHFFFAOYSA-N
MW304.18 g/mol
LogP4.16
Rot. Bonds3

About 5-benzyl-1-(2,3-dichlorophenyl)-1,2,4-triazole

5-benzyl-1-(2,3-dichlorophenyl)-1,2,4-triazole (PubChem CID 16678904) has the molecular formula C15H11Cl2N3 and a molecular weight of 304.18 g/mol. Its IUPAC name is 5-benzyl-1-(2,3-dichlorophenyl)-1,2,4-triazole.

Molecular Properties

Compound Name5-benzyl-1-(2,3-dichlorophenyl)-1,2,4-triazole
PubChem CID16678904
Molecular FormulaC15H11Cl2N3
Molecular Weight304.18 g/mol
Exact Mass303.03
IUPAC Name5-benzyl-1-(2,3-dichlorophenyl)-1,2,4-triazole
SMILESClc1cccc(-n2ncnc2Cc2ccccc2)c1Cl
InChIInChI=1S/C15H11Cl2N3/c16-12-7-4-8-13(15(12)17)20-14(18-10-19-20)9-11-5-2-1-3-6-11/h1-8,10H,9H2
InChIKeyCCZUQXSFOINFTJ-UHFFFAOYSA-N
XLogP4.16
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 ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-1-(2,3-dichlorophenyl)-1,2,4-triazole?
The IUPAC name of 5-benzyl-1-(2,3-dichlorophenyl)-1,2,4-triazole (CID 16678904) is 5-benzyl-1-(2,3-dichlorophenyl)-1,2,4-triazole.
What is the SMILES notation for 5-benzyl-1-(2,3-dichlorophenyl)-1,2,4-triazole?
The canonical SMILES for 5-benzyl-1-(2,3-dichlorophenyl)-1,2,4-triazole is Clc1cccc(-n2ncnc2Cc2ccccc2)c1Cl.
What is the InChIKey of 5-benzyl-1-(2,3-dichlorophenyl)-1,2,4-triazole?
The InChIKey is CCZUQXSFOINFTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2N3/c16-12-7-4-8-13(15(12)17)20-14(18-10-19-20)9-11-5-2-1-3-6-11/h1-8,10H,9H2.
What are the key properties of 5-benzyl-1-(2,3-dichlorophenyl)-1,2,4-triazole?
5-benzyl-1-(2,3-dichlorophenyl)-1,2,4-triazole has a molecular weight of 304.18 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-1-(2,3-dichlorophenyl)-1,2,4-triazole is sourced from PubChem (CID 16678904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).