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

C8H6ClN3 — CID 7131177

IUPAC5-(2-chlorophenyl)-1H-1,2,4-triazole
SMILESClc1ccccc1-c1ncn[nH]1
InChIInChI=1S/C8H6ClN3/c9-7-4-2-1-3-6(7)8-10-5-11-12-8/h1-5H,(H,10,11,12)
InChIKeyHUJUBANPLITKPV-UHFFFAOYSA-N
MW179.61 g/mol
LogP2.13
Rot. Bonds1

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

5-(2-chlorophenyl)-1H-1,2,4-triazole (PubChem CID 7131177) has the molecular formula C8H6ClN3 and a molecular weight of 179.61 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-(2-chlorophenyl)-1H-1,2,4-triazole
PubChem CID7131177
Molecular FormulaC8H6ClN3
Molecular Weight179.61 g/mol
Exact Mass179.03
IUPAC Name5-(2-chlorophenyl)-1H-1,2,4-triazole
SMILESClc1ccccc1-c1ncn[nH]1
InChIInChI=1S/C8H6ClN3/c9-7-4-2-1-3-6(7)8-10-5-11-12-8/h1-5H,(H,10,11,12)
InChIKeyHUJUBANPLITKPV-UHFFFAOYSA-N
XLogP2.13
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.61
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-1H-1,2,4-triazole?
The IUPAC name of 5-(2-chlorophenyl)-1H-1,2,4-triazole (CID 7131177) is 5-(2-chlorophenyl)-1H-1,2,4-triazole.
What is the SMILES notation for 5-(2-chlorophenyl)-1H-1,2,4-triazole?
The canonical SMILES for 5-(2-chlorophenyl)-1H-1,2,4-triazole is Clc1ccccc1-c1ncn[nH]1.
What is the InChIKey of 5-(2-chlorophenyl)-1H-1,2,4-triazole?
The InChIKey is HUJUBANPLITKPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClN3/c9-7-4-2-1-3-6(7)8-10-5-11-12-8/h1-5H,(H,10,11,12).
What are the key properties of 5-(2-chlorophenyl)-1H-1,2,4-triazole?
5-(2-chlorophenyl)-1H-1,2,4-triazole has a molecular weight of 179.61 g/mol, XLogP of 2.13, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-1H-1,2,4-triazole is sourced from PubChem (CID 7131177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).