5-cyclohexyl-3-(2,6-dichlorophenyl)-1H-1,2,4-triazole

C14H15Cl2N3 — CID 55221848

IUPAC5-cyclohexyl-3-(2,6-dichlorophenyl)-1H-1,2,4-triazole
SMILESClc1cccc(Cl)c1-c1n[nH]c(C2CCCCC2)n1
InChIInChI=1S/C14H15Cl2N3/c15-10-7-4-8-11(16)12(10)14-17-13(18-19-14)9-5-2-1-3-6-9/h4,7-9H,1-3,5-6H2,(H,17,18,19)
InChIKeyRSENDYKQYNSYGK-UHFFFAOYSA-N
MW296.20 g/mol
LogP4.83
Rot. Bonds2

About 5-cyclohexyl-3-(2,6-dichlorophenyl)-1H-1,2,4-triazole

5-cyclohexyl-3-(2,6-dichlorophenyl)-1H-1,2,4-triazole (PubChem CID 55221848) has the molecular formula C14H15Cl2N3 and a molecular weight of 296.20 g/mol. Its IUPAC name is 5-cyclohexyl-3-(2,6-dichlorophenyl)-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-cyclohexyl-3-(2,6-dichlorophenyl)-1H-1,2,4-triazole
PubChem CID55221848
Molecular FormulaC14H15Cl2N3
Molecular Weight296.20 g/mol
Exact Mass295.06
IUPAC Name5-cyclohexyl-3-(2,6-dichlorophenyl)-1H-1,2,4-triazole
SMILESClc1cccc(Cl)c1-c1n[nH]c(C2CCCCC2)n1
InChIInChI=1S/C14H15Cl2N3/c15-10-7-4-8-11(16)12(10)14-17-13(18-19-14)9-5-2-1-3-6-9/h4,7-9H,1-3,5-6H2,(H,17,18,19)
InChIKeyRSENDYKQYNSYGK-UHFFFAOYSA-N
XLogP4.83
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.20
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-3-(2,6-dichlorophenyl)-1H-1,2,4-triazole?
The IUPAC name of 5-cyclohexyl-3-(2,6-dichlorophenyl)-1H-1,2,4-triazole (CID 55221848) is 5-cyclohexyl-3-(2,6-dichlorophenyl)-1H-1,2,4-triazole.
What is the SMILES notation for 5-cyclohexyl-3-(2,6-dichlorophenyl)-1H-1,2,4-triazole?
The canonical SMILES for 5-cyclohexyl-3-(2,6-dichlorophenyl)-1H-1,2,4-triazole is Clc1cccc(Cl)c1-c1n[nH]c(C2CCCCC2)n1.
What is the InChIKey of 5-cyclohexyl-3-(2,6-dichlorophenyl)-1H-1,2,4-triazole?
The InChIKey is RSENDYKQYNSYGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N3/c15-10-7-4-8-11(16)12(10)14-17-13(18-19-14)9-5-2-1-3-6-9/h4,7-9H,1-3,5-6H2,(H,17,18,19).
What are the key properties of 5-cyclohexyl-3-(2,6-dichlorophenyl)-1H-1,2,4-triazole?
5-cyclohexyl-3-(2,6-dichlorophenyl)-1H-1,2,4-triazole has a molecular weight of 296.20 g/mol, XLogP of 4.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-3-(2,6-dichlorophenyl)-1H-1,2,4-triazole is sourced from PubChem (CID 55221848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).