3-ethoxy-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-ol

C11H19N3O2 — CID 106823381

IUPAC3-ethoxy-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-ol
SMILESCCOC1CC(O)(Cc2ncnn2CC)C1
InChIInChI=1S/C11H19N3O2/c1-3-14-10(12-8-13-14)7-11(15)5-9(6-11)16-4-2/h8-9,15H,3-7H2,1-2H3
InChIKeyRZAOPEARLAASGI-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.77
Rot. Bonds5

About 3-ethoxy-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-ol

3-ethoxy-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-ol (PubChem CID 106823381) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 3-ethoxy-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-ethoxy-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-ol
PubChem CID106823381
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name3-ethoxy-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-ol
SMILESCCOC1CC(O)(Cc2ncnn2CC)C1
InChIInChI=1S/C11H19N3O2/c1-3-14-10(12-8-13-14)7-11(15)5-9(6-11)16-4-2/h8-9,15H,3-7H2,1-2H3
InChIKeyRZAOPEARLAASGI-UHFFFAOYSA-N
XLogP0.77
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-ol?
The IUPAC name of 3-ethoxy-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-ol (CID 106823381) is 3-ethoxy-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-ol.
What is the SMILES notation for 3-ethoxy-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-ol?
The canonical SMILES for 3-ethoxy-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-ol is CCOC1CC(O)(Cc2ncnn2CC)C1.
What is the InChIKey of 3-ethoxy-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-ol?
The InChIKey is RZAOPEARLAASGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-3-14-10(12-8-13-14)7-11(15)5-9(6-11)16-4-2/h8-9,15H,3-7H2,1-2H3.
What are the key properties of 3-ethoxy-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-ol?
3-ethoxy-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-ol has a molecular weight of 225.29 g/mol, XLogP of 0.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-ol is sourced from PubChem (CID 106823381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).