3-ethoxy-3-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)pentan-2-ol

C13H25N3O2 — CID 116752288

IUPAC3-ethoxy-3-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)pentan-2-ol
SMILESCCOC(C)(CC)C(O)Cc1ncnn1C(C)C
InChIInChI=1S/C13H25N3O2/c1-6-13(5,18-7-2)11(17)8-12-14-9-15-16(12)10(3)4/h9-11,17H,6-8H2,1-5H3
InChIKeyIXJPEVCULSNPSD-UHFFFAOYSA-N
MW255.36 g/mol
LogP1.97
Rot. Bonds7

About 3-ethoxy-3-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)pentan-2-ol

3-ethoxy-3-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)pentan-2-ol (PubChem CID 116752288) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 3-ethoxy-3-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)pentan-2-ol.

Molecular Properties

Compound Name3-ethoxy-3-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)pentan-2-ol
PubChem CID116752288
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name3-ethoxy-3-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)pentan-2-ol
SMILESCCOC(C)(CC)C(O)Cc1ncnn1C(C)C
InChIInChI=1S/C13H25N3O2/c1-6-13(5,18-7-2)11(17)8-12-14-9-15-16(12)10(3)4/h9-11,17H,6-8H2,1-5H3
InChIKeyIXJPEVCULSNPSD-UHFFFAOYSA-N
XLogP1.97
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(dimethylamino)-3-ethyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)pentan-2-ol
CID 79061121
3-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)-3-pyrrolidin-1-ylbutan-2-ol
CID 79055699
2-ethoxy-2-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-1-amine
CID 112744581
1-(2-propan-2-yl-1,2,4-triazol-3-yl)butane-2,3-diol
CID 103452773
[3,3-dimethyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)pentan-2-yl]hydrazine
CID 105317424
1-(2-propan-2-yl-1,2,4-triazol-3-yl)hexane-2,3-diol
CID 103454995
5-ethoxy-1-(2-propan-2-yl-1,2,4-triazol-3-yl)pentan-2-ol
CID 105107928
2-ethoxy-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2-methylbutan-1-ol
CID 114645742
5-[2-(bromomethyl)-3,3-dimethylbutyl]-1-propan-2-yl-1,2,4-triazole
CID 83142306
1,1,1-trifluoro-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-amine
CID 104999487
1-(3-ethyl-2-pyridinyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol
CID 82729587
5-(methoxymethyl)-1-propan-2-yl-1,2,4-triazole
CID 58602880

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-3-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)pentan-2-ol?
The IUPAC name of 3-ethoxy-3-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)pentan-2-ol (CID 116752288) is 3-ethoxy-3-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)pentan-2-ol.
What is the SMILES notation for 3-ethoxy-3-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)pentan-2-ol?
The canonical SMILES for 3-ethoxy-3-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)pentan-2-ol is CCOC(C)(CC)C(O)Cc1ncnn1C(C)C.
What is the InChIKey of 3-ethoxy-3-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)pentan-2-ol?
The InChIKey is IXJPEVCULSNPSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-6-13(5,18-7-2)11(17)8-12-14-9-15-16(12)10(3)4/h9-11,17H,6-8H2,1-5H3.
What are the key properties of 3-ethoxy-3-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)pentan-2-ol?
3-ethoxy-3-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)pentan-2-ol has a molecular weight of 255.36 g/mol, XLogP of 1.97, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-3-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)pentan-2-ol is sourced from PubChem (CID 116752288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).