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

C11H21N3O2 — CID 116711380

IUPAC3-ethoxy-1-(2-methyl-1,2,4-triazol-3-yl)hexan-2-ol
SMILESCCCC(OCC)C(O)Cc1ncnn1C
InChIInChI=1S/C11H21N3O2/c1-4-6-10(16-5-2)9(15)7-11-12-8-13-14(11)3/h8-10,15H,4-7H2,1-3H3
InChIKeyUBSWAANQBFZRFW-UHFFFAOYSA-N
MW227.31 g/mol
LogP0.92
Rot. Bonds7

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

3-ethoxy-1-(2-methyl-1,2,4-triazol-3-yl)hexan-2-ol (PubChem CID 116711380) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 3-ethoxy-1-(2-methyl-1,2,4-triazol-3-yl)hexan-2-ol.

Molecular Properties

Compound Name3-ethoxy-1-(2-methyl-1,2,4-triazol-3-yl)hexan-2-ol
PubChem CID116711380
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name3-ethoxy-1-(2-methyl-1,2,4-triazol-3-yl)hexan-2-ol
SMILESCCCC(OCC)C(O)Cc1ncnn1C
InChIInChI=1S/C11H21N3O2/c1-4-6-10(16-5-2)9(15)7-11-12-8-13-14(11)3/h8-10,15H,4-7H2,1-3H3
InChIKeyUBSWAANQBFZRFW-UHFFFAOYSA-N
XLogP0.92
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,1-difluoro-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-ol
CID 112575472
3-ethoxy-N-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)hexan-2-amine
CID 116718086
1-(2-methyl-1,2,4-triazol-3-yl)-3-propylhexan-2-amine
CID 104997891
3-ethoxy-1-(1,3-thiazol-2-yl)hexan-2-ol
CID 116711385
3-propyl-1-(2-propyl-1,2,4-triazol-3-yl)hexan-2-ol
CID 115816584
1-(2-methyl-1,2,4-triazol-3-yl)-3-propan-2-yloxypropan-2-ol
CID 105107171
3-ethoxy-1-(1-methylindazol-3-yl)hexan-2-ol
CID 116711328
N-[(2-methyl-1,2,4-triazol-3-yl)methyl]heptan-4-amine
CID 115677442
1-(2-propan-2-yl-1,2,4-triazol-3-yl)hexane-2,3-diol
CID 103454995
1-(2-methyl-1,2,4-triazol-3-yl)-N-propan-2-ylhexan-2-amine
CID 79413166
[1-ethoxy-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine
CID 105235263
3-ethoxy-3-ethyl-1-(2-methyl-1,2,4-triazol-3-yl)-N-propylpentan-2-amine
CID 116760277

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1-(2-methyl-1,2,4-triazol-3-yl)hexan-2-ol?
The IUPAC name of 3-ethoxy-1-(2-methyl-1,2,4-triazol-3-yl)hexan-2-ol (CID 116711380) is 3-ethoxy-1-(2-methyl-1,2,4-triazol-3-yl)hexan-2-ol.
What is the SMILES notation for 3-ethoxy-1-(2-methyl-1,2,4-triazol-3-yl)hexan-2-ol?
The canonical SMILES for 3-ethoxy-1-(2-methyl-1,2,4-triazol-3-yl)hexan-2-ol is CCCC(OCC)C(O)Cc1ncnn1C.
What is the InChIKey of 3-ethoxy-1-(2-methyl-1,2,4-triazol-3-yl)hexan-2-ol?
The InChIKey is UBSWAANQBFZRFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-4-6-10(16-5-2)9(15)7-11-12-8-13-14(11)3/h8-10,15H,4-7H2,1-3H3.
What are the key properties of 3-ethoxy-1-(2-methyl-1,2,4-triazol-3-yl)hexan-2-ol?
3-ethoxy-1-(2-methyl-1,2,4-triazol-3-yl)hexan-2-ol has a molecular weight of 227.31 g/mol, XLogP of 0.92, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1-(2-methyl-1,2,4-triazol-3-yl)hexan-2-ol is sourced from PubChem (CID 116711380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).