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

C11H19N3O — CID 61337739

IUPAC3-cyclohexyl-5-(ethoxymethyl)-1H-1,2,4-triazole
SMILESCCOCc1nc(C2CCCCC2)n[nH]1
InChIInChI=1S/C11H19N3O/c1-2-15-8-10-12-11(14-13-10)9-6-4-3-5-7-9/h9H,2-8H2,1H3,(H,12,13,14)
InChIKeyYLMWDKTYSDMJQR-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.39
Rot. Bonds4

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

3-cyclohexyl-5-(ethoxymethyl)-1H-1,2,4-triazole (PubChem CID 61337739) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 3-cyclohexyl-5-(ethoxymethyl)-1H-1,2,4-triazole.

Molecular Properties

Compound Name3-cyclohexyl-5-(ethoxymethyl)-1H-1,2,4-triazole
PubChem CID61337739
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name3-cyclohexyl-5-(ethoxymethyl)-1H-1,2,4-triazole
SMILESCCOCc1nc(C2CCCCC2)n[nH]1
InChIInChI=1S/C11H19N3O/c1-2-15-8-10-12-11(14-13-10)9-6-4-3-5-7-9/h9H,2-8H2,1H3,(H,12,13,14)
InChIKeyYLMWDKTYSDMJQR-UHFFFAOYSA-N
XLogP2.39
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-5-(ethoxymethyl)-1H-1,2,4-triazole?
The IUPAC name of 3-cyclohexyl-5-(ethoxymethyl)-1H-1,2,4-triazole (CID 61337739) is 3-cyclohexyl-5-(ethoxymethyl)-1H-1,2,4-triazole.
What is the SMILES notation for 3-cyclohexyl-5-(ethoxymethyl)-1H-1,2,4-triazole?
The canonical SMILES for 3-cyclohexyl-5-(ethoxymethyl)-1H-1,2,4-triazole is CCOCc1nc(C2CCCCC2)n[nH]1.
What is the InChIKey of 3-cyclohexyl-5-(ethoxymethyl)-1H-1,2,4-triazole?
The InChIKey is YLMWDKTYSDMJQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-2-15-8-10-12-11(14-13-10)9-6-4-3-5-7-9/h9H,2-8H2,1H3,(H,12,13,14).
What are the key properties of 3-cyclohexyl-5-(ethoxymethyl)-1H-1,2,4-triazole?
3-cyclohexyl-5-(ethoxymethyl)-1H-1,2,4-triazole has a molecular weight of 209.29 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-5-(ethoxymethyl)-1H-1,2,4-triazole is sourced from PubChem (CID 61337739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).