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

C15H11Cl2N3 — CID 16678804

IUPAC1-benzyl-5-(2,3-dichlorophenyl)-1,2,4-triazole
SMILESClc1cccc(-c2ncnn2Cc2ccccc2)c1Cl
InChIInChI=1S/C15H11Cl2N3/c16-13-8-4-7-12(14(13)17)15-18-10-19-20(15)9-11-5-2-1-3-6-11/h1-8,10H,9H2
InChIKeyQBOIAECLOSIGFH-UHFFFAOYSA-N
MW304.18 g/mol
LogP4.30
Rot. Bonds3

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

1-benzyl-5-(2,3-dichlorophenyl)-1,2,4-triazole (PubChem CID 16678804) has the molecular formula C15H11Cl2N3 and a molecular weight of 304.18 g/mol. Its IUPAC name is 1-benzyl-5-(2,3-dichlorophenyl)-1,2,4-triazole.

Molecular Properties

Compound Name1-benzyl-5-(2,3-dichlorophenyl)-1,2,4-triazole
PubChem CID16678804
Molecular FormulaC15H11Cl2N3
Molecular Weight304.18 g/mol
Exact Mass303.03
IUPAC Name1-benzyl-5-(2,3-dichlorophenyl)-1,2,4-triazole
SMILESClc1cccc(-c2ncnn2Cc2ccccc2)c1Cl
InChIInChI=1S/C15H11Cl2N3/c16-13-8-4-7-12(14(13)17)15-18-10-19-20(15)9-11-5-2-1-3-6-11/h1-8,10H,9H2
InChIKeyQBOIAECLOSIGFH-UHFFFAOYSA-N
XLogP4.30
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 ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-(2,3-dichlorophenyl)-1,2,4-triazole?
The IUPAC name of 1-benzyl-5-(2,3-dichlorophenyl)-1,2,4-triazole (CID 16678804) is 1-benzyl-5-(2,3-dichlorophenyl)-1,2,4-triazole.
What is the SMILES notation for 1-benzyl-5-(2,3-dichlorophenyl)-1,2,4-triazole?
The canonical SMILES for 1-benzyl-5-(2,3-dichlorophenyl)-1,2,4-triazole is Clc1cccc(-c2ncnn2Cc2ccccc2)c1Cl.
What is the InChIKey of 1-benzyl-5-(2,3-dichlorophenyl)-1,2,4-triazole?
The InChIKey is QBOIAECLOSIGFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2N3/c16-13-8-4-7-12(14(13)17)15-18-10-19-20(15)9-11-5-2-1-3-6-11/h1-8,10H,9H2.
What are the key properties of 1-benzyl-5-(2,3-dichlorophenyl)-1,2,4-triazole?
1-benzyl-5-(2,3-dichlorophenyl)-1,2,4-triazole has a molecular weight of 304.18 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-(2,3-dichlorophenyl)-1,2,4-triazole is sourced from PubChem (CID 16678804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).