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

C11H9ClN6 — CID 4210279

IUPAC1-[(4-chlorophenyl)-(1,2,4-triazol-1-yl)methyl]-1,2,4-triazole
SMILESClc1ccc(C(n2cncn2)n2cncn2)cc1
InChIInChI=1S/C11H9ClN6/c12-10-3-1-9(2-4-10)11(17-7-13-5-15-17)18-8-14-6-16-18/h1-8,11H
InChIKeyHCMCKEJJBGZBJR-UHFFFAOYSA-N
MW260.69 g/mol
LogP1.62
Rot. Bonds3

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

1-[(4-chlorophenyl)-(1,2,4-triazol-1-yl)methyl]-1,2,4-triazole (PubChem CID 4210279) has the molecular formula C11H9ClN6 and a molecular weight of 260.69 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)-(1,2,4-triazol-1-yl)methyl]-1,2,4-triazole.

Molecular Properties

Compound Name1-[(4-chlorophenyl)-(1,2,4-triazol-1-yl)methyl]-1,2,4-triazole
PubChem CID4210279
Molecular FormulaC11H9ClN6
Molecular Weight260.69 g/mol
Exact Mass260.06
IUPAC Name1-[(4-chlorophenyl)-(1,2,4-triazol-1-yl)methyl]-1,2,4-triazole
SMILESClc1ccc(C(n2cncn2)n2cncn2)cc1
InChIInChI=1S/C11H9ClN6/c12-10-3-1-9(2-4-10)11(17-7-13-5-15-17)18-8-14-6-16-18/h1-8,11H
InChIKeyHCMCKEJJBGZBJR-UHFFFAOYSA-N
XLogP1.62
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.69
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)-(1,2,4-triazol-1-yl)methyl]-1,2,4-triazole?
The IUPAC name of 1-[(4-chlorophenyl)-(1,2,4-triazol-1-yl)methyl]-1,2,4-triazole (CID 4210279) is 1-[(4-chlorophenyl)-(1,2,4-triazol-1-yl)methyl]-1,2,4-triazole.
What is the SMILES notation for 1-[(4-chlorophenyl)-(1,2,4-triazol-1-yl)methyl]-1,2,4-triazole?
The canonical SMILES for 1-[(4-chlorophenyl)-(1,2,4-triazol-1-yl)methyl]-1,2,4-triazole is Clc1ccc(C(n2cncn2)n2cncn2)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)-(1,2,4-triazol-1-yl)methyl]-1,2,4-triazole?
The InChIKey is HCMCKEJJBGZBJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN6/c12-10-3-1-9(2-4-10)11(17-7-13-5-15-17)18-8-14-6-16-18/h1-8,11H.
What are the key properties of 1-[(4-chlorophenyl)-(1,2,4-triazol-1-yl)methyl]-1,2,4-triazole?
1-[(4-chlorophenyl)-(1,2,4-triazol-1-yl)methyl]-1,2,4-triazole has a molecular weight of 260.69 g/mol, XLogP of 1.62, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)-(1,2,4-triazol-1-yl)methyl]-1,2,4-triazole is sourced from PubChem (CID 4210279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).