1-cyclohexyl-3-(2-methoxyethyl)-5-(oxan-2-ylmethoxymethyl)-1,2,4-triazole

C18H31N3O3 — CID 72838474

IUPAC1-cyclohexyl-3-(2-methoxyethyl)-5-(oxan-2-ylmethoxymethyl)-1,2,4-triazole
SMILESCOCCc1nc(COCC2CCCCO2)n(C2CCCCC2)n1
InChIInChI=1S/C18H31N3O3/c1-22-12-10-17-19-18(14-23-13-16-9-5-6-11-24-16)21(20-17)15-7-3-2-4-8-15/h15-16H,2-14H2,1H3
InChIKeyCZPIFXRLAGYHGH-UHFFFAOYSA-N
MW337.46 g/mol
LogP3.06
Rot. Bonds8

About 1-cyclohexyl-3-(2-methoxyethyl)-5-(oxan-2-ylmethoxymethyl)-1,2,4-triazole

1-cyclohexyl-3-(2-methoxyethyl)-5-(oxan-2-ylmethoxymethyl)-1,2,4-triazole (PubChem CID 72838474) has the molecular formula C18H31N3O3 and a molecular weight of 337.46 g/mol. Its IUPAC name is 1-cyclohexyl-3-(2-methoxyethyl)-5-(oxan-2-ylmethoxymethyl)-1,2,4-triazole.

Molecular Properties

Compound Name1-cyclohexyl-3-(2-methoxyethyl)-5-(oxan-2-ylmethoxymethyl)-1,2,4-triazole
PubChem CID72838474
Molecular FormulaC18H31N3O3
Molecular Weight337.46 g/mol
Exact Mass337.24
IUPAC Name1-cyclohexyl-3-(2-methoxyethyl)-5-(oxan-2-ylmethoxymethyl)-1,2,4-triazole
SMILESCOCCc1nc(COCC2CCCCO2)n(C2CCCCC2)n1
InChIInChI=1S/C18H31N3O3/c1-22-12-10-17-19-18(14-23-13-16-9-5-6-11-24-16)21(20-17)15-7-3-2-4-8-15/h15-16H,2-14H2,1H3
InChIKeyCZPIFXRLAGYHGH-UHFFFAOYSA-N
XLogP3.06
TPSA58.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-cyclohexyl-3-(2-methoxyethyl)-5-(oxan-2-ylmethoxymethyl)-1,2,4-triazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(2-methoxyethyl)-5-(oxan-2-ylmethoxymethyl)-1,2,4-triazole?
The IUPAC name of 1-cyclohexyl-3-(2-methoxyethyl)-5-(oxan-2-ylmethoxymethyl)-1,2,4-triazole (CID 72838474) is 1-cyclohexyl-3-(2-methoxyethyl)-5-(oxan-2-ylmethoxymethyl)-1,2,4-triazole.
What is the SMILES notation for 1-cyclohexyl-3-(2-methoxyethyl)-5-(oxan-2-ylmethoxymethyl)-1,2,4-triazole?
The canonical SMILES for 1-cyclohexyl-3-(2-methoxyethyl)-5-(oxan-2-ylmethoxymethyl)-1,2,4-triazole is COCCc1nc(COCC2CCCCO2)n(C2CCCCC2)n1.
What is the InChIKey of 1-cyclohexyl-3-(2-methoxyethyl)-5-(oxan-2-ylmethoxymethyl)-1,2,4-triazole?
The InChIKey is CZPIFXRLAGYHGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O3/c1-22-12-10-17-19-18(14-23-13-16-9-5-6-11-24-16)21(20-17)15-7-3-2-4-8-15/h15-16H,2-14H2,1H3.
What are the key properties of 1-cyclohexyl-3-(2-methoxyethyl)-5-(oxan-2-ylmethoxymethyl)-1,2,4-triazole?
1-cyclohexyl-3-(2-methoxyethyl)-5-(oxan-2-ylmethoxymethyl)-1,2,4-triazole has a molecular weight of 337.46 g/mol, XLogP of 3.06, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(2-methoxyethyl)-5-(oxan-2-ylmethoxymethyl)-1,2,4-triazole is sourced from PubChem (CID 72838474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).