4-(2-methoxyethyl)-3-(4-propan-2-ylcyclohexyl)-1,2,4-triazole

C14H25N3O — CID 71234324

IUPAC4-(2-methoxyethyl)-3-(4-propan-2-ylcyclohexyl)-1,2,4-triazole
SMILESCOCCn1cnnc1C1CCC(C(C)C)CC1
InChIInChI=1S/C14H25N3O/c1-11(2)12-4-6-13(7-5-12)14-16-15-10-17(14)8-9-18-3/h10-13H,4-9H2,1-3H3
InChIKeyOAZDHCFZTRQKNO-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.85
Rot. Bonds5

About 4-(2-methoxyethyl)-3-(4-propan-2-ylcyclohexyl)-1,2,4-triazole

4-(2-methoxyethyl)-3-(4-propan-2-ylcyclohexyl)-1,2,4-triazole (PubChem CID 71234324) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 4-(2-methoxyethyl)-3-(4-propan-2-ylcyclohexyl)-1,2,4-triazole.

Molecular Properties

Compound Name4-(2-methoxyethyl)-3-(4-propan-2-ylcyclohexyl)-1,2,4-triazole
PubChem CID71234324
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name4-(2-methoxyethyl)-3-(4-propan-2-ylcyclohexyl)-1,2,4-triazole
SMILESCOCCn1cnnc1C1CCC(C(C)C)CC1
InChIInChI=1S/C14H25N3O/c1-11(2)12-4-6-13(7-5-12)14-16-15-10-17(14)8-9-18-3/h10-13H,4-9H2,1-3H3
InChIKeyOAZDHCFZTRQKNO-UHFFFAOYSA-N
XLogP2.85
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethyl)-3-(4-propan-2-ylcyclohexyl)-1,2,4-triazole?
The IUPAC name of 4-(2-methoxyethyl)-3-(4-propan-2-ylcyclohexyl)-1,2,4-triazole (CID 71234324) is 4-(2-methoxyethyl)-3-(4-propan-2-ylcyclohexyl)-1,2,4-triazole.
What is the SMILES notation for 4-(2-methoxyethyl)-3-(4-propan-2-ylcyclohexyl)-1,2,4-triazole?
The canonical SMILES for 4-(2-methoxyethyl)-3-(4-propan-2-ylcyclohexyl)-1,2,4-triazole is COCCn1cnnc1C1CCC(C(C)C)CC1.
What is the InChIKey of 4-(2-methoxyethyl)-3-(4-propan-2-ylcyclohexyl)-1,2,4-triazole?
The InChIKey is OAZDHCFZTRQKNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-11(2)12-4-6-13(7-5-12)14-16-15-10-17(14)8-9-18-3/h10-13H,4-9H2,1-3H3.
What are the key properties of 4-(2-methoxyethyl)-3-(4-propan-2-ylcyclohexyl)-1,2,4-triazole?
4-(2-methoxyethyl)-3-(4-propan-2-ylcyclohexyl)-1,2,4-triazole has a molecular weight of 251.37 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethyl)-3-(4-propan-2-ylcyclohexyl)-1,2,4-triazole is sourced from PubChem (CID 71234324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).