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

C12H23N3O2 — CID 105107928

IUPAC5-ethoxy-1-(2-propan-2-yl-1,2,4-triazol-3-yl)pentan-2-ol
SMILESCCOCCCC(O)Cc1ncnn1C(C)C
InChIInChI=1S/C12H23N3O2/c1-4-17-7-5-6-11(16)8-12-13-9-14-15(12)10(2)3/h9-11,16H,4-8H2,1-3H3
InChIKeyDYSWNRAKKAFFOH-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.58
Rot. Bonds8

About 5-ethoxy-1-(2-propan-2-yl-1,2,4-triazol-3-yl)pentan-2-ol

5-ethoxy-1-(2-propan-2-yl-1,2,4-triazol-3-yl)pentan-2-ol (PubChem CID 105107928) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 5-ethoxy-1-(2-propan-2-yl-1,2,4-triazol-3-yl)pentan-2-ol.

Molecular Properties

Compound Name5-ethoxy-1-(2-propan-2-yl-1,2,4-triazol-3-yl)pentan-2-ol
PubChem CID105107928
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name5-ethoxy-1-(2-propan-2-yl-1,2,4-triazol-3-yl)pentan-2-ol
SMILESCCOCCCC(O)Cc1ncnn1C(C)C
InChIInChI=1S/C12H23N3O2/c1-4-17-7-5-6-11(16)8-12-13-9-14-15(12)10(2)3/h9-11,16H,4-8H2,1-3H3
InChIKeyDYSWNRAKKAFFOH-UHFFFAOYSA-N
XLogP1.58
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-ethoxy-1-(1-methylimidazol-2-yl)pentan-2-ol
CID 105113599
1-(2-propan-2-yl-1,2,4-triazol-3-yl)hexane-2,3-diol
CID 103454995
1-(2-propan-2-yl-1,2,4-triazol-3-yl)-4-pyridin-4-ylbutan-2-ol
CID 105107794
4-(3-methylphenoxy)-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-ol
CID 105107906
1-(2-propan-2-yl-1,2,4-triazol-3-yl)butane-2,3-diol
CID 103452773
1-cyclobutyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-ol
CID 103170087
3-ethoxy-3-methyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)pentan-2-ol
CID 116752288
[1-ethoxy-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine
CID 105235383
5-ethoxy-1-(1-methylpyrazol-4-yl)pentan-2-ol
CID 105082767
1-(2,6-difluorophenyl)-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-ol
CID 115813882
5-ethoxy-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-2-amine
CID 105160833
3-cyclopropyl-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-ol
CID 115813961

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-1-(2-propan-2-yl-1,2,4-triazol-3-yl)pentan-2-ol?
The IUPAC name of 5-ethoxy-1-(2-propan-2-yl-1,2,4-triazol-3-yl)pentan-2-ol (CID 105107928) is 5-ethoxy-1-(2-propan-2-yl-1,2,4-triazol-3-yl)pentan-2-ol.
What is the SMILES notation for 5-ethoxy-1-(2-propan-2-yl-1,2,4-triazol-3-yl)pentan-2-ol?
The canonical SMILES for 5-ethoxy-1-(2-propan-2-yl-1,2,4-triazol-3-yl)pentan-2-ol is CCOCCCC(O)Cc1ncnn1C(C)C.
What is the InChIKey of 5-ethoxy-1-(2-propan-2-yl-1,2,4-triazol-3-yl)pentan-2-ol?
The InChIKey is DYSWNRAKKAFFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-4-17-7-5-6-11(16)8-12-13-9-14-15(12)10(2)3/h9-11,16H,4-8H2,1-3H3.
What are the key properties of 5-ethoxy-1-(2-propan-2-yl-1,2,4-triazol-3-yl)pentan-2-ol?
5-ethoxy-1-(2-propan-2-yl-1,2,4-triazol-3-yl)pentan-2-ol has a molecular weight of 241.33 g/mol, XLogP of 1.58, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-1-(2-propan-2-yl-1,2,4-triazol-3-yl)pentan-2-ol is sourced from PubChem (CID 105107928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).