Ethyl 4-[4-(3,5-dichlorophenyl)cyclohexyl]oxy-1H-triazole-5-carboxylate

Name: Ethyl 4-[4-(3,5-dichlorophenyl)cyclohexyl]oxy-1H-triazole-5-carboxylate — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₇H₁₉Cl₂N₃O₃ — CID 155422828

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPACethyl 4-[4-(3,5-dichlorophenyl)cyclohexyl]oxy-1H-triazole-5-carboxylate

SMILESCCOC(=O)c1[nH]nnc1OC1CCC(c2cc(Cl)cc(Cl)c2)CC1

InChIInChI=1S/C17H19Cl2N3O3/c1-2-24-17(23)15-16(21-22-20-15)25-14-5-3-10(4-6-14)11-7-12(18)9-13(19)8-11/h7-10,14H,2-6H2,1H3,(H,20,21,22)

InChIKeyVEGAQCMMJFQEFM-UHFFFAOYSA-N

MW384.26 g/mol

LogP4.39

Rot. Bonds5

About Ethyl 4-[4-(3,5-dichlorophenyl)cyclohexyl]oxy-1H-triazole-5-carboxylate

Ethyl 4-[4-(3,5-dichlorophenyl)cyclohexyl]oxy-1H-triazole-5-carboxylate (PubChem CID 155422828) has the molecular formula C₁₇H₁₉Cl₂N₃O₃ and a molecular weight of 384.26 g/mol. Its IUPAC name is ethyl 4-[4-(3,5-dichlorophenyl)cyclohexyl]oxy-1H-triazole-5-carboxylate.

Molecular Properties

Compound Name	Ethyl 4-[4-(3,5-dichlorophenyl)cyclohexyl]oxy-1H-triazole-5-carboxylate
PubChem CID	155422828
Molecular Formula	C₁₇H₁₉Cl₂N₃O₃
Molecular Weight	384.26 g/mol
Exact Mass	383.08
IUPAC Name	ethyl 4-[4-(3,5-dichlorophenyl)cyclohexyl]oxy-1H-triazole-5-carboxylate
SMILES	CCOC(=O)c1[nH]nnc1OC1CCC(c2cc(Cl)cc(Cl)c2)CC1
InChI	InChI=1S/C17H19Cl2N3O3/c1-2-24-17(23)15-16(21-22-20-15)25-14-5-3-10(4-6-14)11-7-12(18)9-13(19)8-11/h7-10,14H,2-6H2,1H3,(H,20,21,22)
InChIKey	VEGAQCMMJFQEFM-UHFFFAOYSA-N
XLogP	4.39
TPSA	77.10 Å²
H-Bond Donors	1
H-Bond Acceptors	5
Rotatable Bonds	5
Heavy Atoms	25
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	384.26
LogP ≤ 5	4.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of Ethyl 4-[4-(3,5-dichlorophenyl)cyclohexyl]oxy-1H-triazole-5-carboxylate?

The IUPAC name of Ethyl 4-[4-(3,5-dichlorophenyl)cyclohexyl]oxy-1H-triazole-5-carboxylate (CID 155422828) is ethyl 4-[4-(3,5-dichlorophenyl)cyclohexyl]oxy-1H-triazole-5-carboxylate.

What is the SMILES notation for Ethyl 4-[4-(3,5-dichlorophenyl)cyclohexyl]oxy-1H-triazole-5-carboxylate?

The canonical SMILES for Ethyl 4-[4-(3,5-dichlorophenyl)cyclohexyl]oxy-1H-triazole-5-carboxylate is CCOC(=O)c1[nH]nnc1OC1CCC(c2cc(Cl)cc(Cl)c2)CC1.

What is the InChIKey of Ethyl 4-[4-(3,5-dichlorophenyl)cyclohexyl]oxy-1H-triazole-5-carboxylate?

The InChIKey is VEGAQCMMJFQEFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2N3O3/c1-2-24-17(23)15-16(21-22-20-15)25-14-5-3-10(4-6-14)11-7-12(18)9-13(19)8-11/h7-10,14H,2-6H2,1H3,(H,20,21,22).

What are the key properties of Ethyl 4-[4-(3,5-dichlorophenyl)cyclohexyl]oxy-1H-triazole-5-carboxylate?

Ethyl 4-[4-(3,5-dichlorophenyl)cyclohexyl]oxy-1H-triazole-5-carboxylate has a molecular weight of 384.26 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for Ethyl 4-[4-(3,5-dichlorophenyl)cyclohexyl]oxy-1H-triazole-5-carboxylate is sourced from PubChem (CID 155422828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 155422828 — identifiers, structure, computed properties (public domain)

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