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

C12H21N3O2 — CID 106823268

IUPAC3-ethoxy-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-ol
SMILESCCOC1CC(O)(Cc2ncnn2C(C)C)C1
InChIInChI=1S/C12H21N3O2/c1-4-17-10-5-12(16,6-10)7-11-13-8-14-15(11)9(2)3/h8-10,16H,4-7H2,1-3H3
InChIKeyZPHDGQHWZHUYTD-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.33
Rot. Bonds5

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

3-ethoxy-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-ol (PubChem CID 106823268) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 3-ethoxy-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-ethoxy-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-ol
PubChem CID106823268
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name3-ethoxy-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-ol
SMILESCCOC1CC(O)(Cc2ncnn2C(C)C)C1
InChIInChI=1S/C12H21N3O2/c1-4-17-10-5-12(16,6-10)7-11-13-8-14-15(11)9(2)3/h8-10,16H,4-7H2,1-3H3
InChIKeyZPHDGQHWZHUYTD-UHFFFAOYSA-N
XLogP1.33
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethoxy-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-ol
CID 106823381
3-methoxy-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-ol
CID 106873873
3-ethyl-4-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]piperidin-4-ol
CID 114510267
5-[[1-(chloromethyl)cyclobutyl]methyl]-1-propan-2-yl-1,2,4-triazole
CID 66036230
5-[(2-ethylpyrrolidin-2-yl)methyl]-1-propan-2-yl-1,2,4-triazole
CID 66466460
3-ethoxy-1-[(1-ethylbenzimidazol-2-yl)methyl]cyclobutan-1-ol
CID 106823434
5-(methoxymethyl)-1-propan-2-yl-1,2,4-triazole
CID 58602880
2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxylic acid
CID 83080410
5-[[1-(bromomethyl)cyclopentyl]methyl]-1-propan-2-yl-1,2,4-triazole
CID 66049123
3-ethoxy-1-[(1-propylbenzimidazol-2-yl)methyl]cyclobutan-1-ol
CID 106823271
5-[(3-cyclopentylazetidin-3-yl)methyl]-1-propan-2-yl-1,2,4-triazole
CID 112571297
1-(2-propan-2-yl-1,2,4-triazol-3-yl)hexane-2,3-diol
CID 103454995

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-ol?
The IUPAC name of 3-ethoxy-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-ol (CID 106823268) is 3-ethoxy-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-ol.
What is the SMILES notation for 3-ethoxy-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-ol?
The canonical SMILES for 3-ethoxy-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-ol is CCOC1CC(O)(Cc2ncnn2C(C)C)C1.
What is the InChIKey of 3-ethoxy-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-ol?
The InChIKey is ZPHDGQHWZHUYTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-4-17-10-5-12(16,6-10)7-11-13-8-14-15(11)9(2)3/h8-10,16H,4-7H2,1-3H3.
What are the key properties of 3-ethoxy-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-ol?
3-ethoxy-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-ol has a molecular weight of 239.32 g/mol, XLogP of 1.33, 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-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-ol is sourced from PubChem (CID 106823268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).