[1-[2-(azepan-1-yl)ethyl]triazol-4-yl]methanol

C11H20N4O — CID 78357904

IUPAC[1-[2-(azepan-1-yl)ethyl]triazol-4-yl]methanol
SMILESOCc1cn(CCN2CCCCCC2)nn1
InChIInChI=1S/C11H20N4O/c16-10-11-9-15(13-12-11)8-7-14-5-3-1-2-4-6-14/h9,16H,1-8,10H2
InChIKeyARTBCDKYNQFQTR-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.65
Rot. Bonds4

About [1-[2-(azepan-1-yl)ethyl]triazol-4-yl]methanol

[1-[2-(azepan-1-yl)ethyl]triazol-4-yl]methanol (PubChem CID 78357904) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is [1-[2-(azepan-1-yl)ethyl]triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[2-(azepan-1-yl)ethyl]triazol-4-yl]methanol
PubChem CID78357904
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name[1-[2-(azepan-1-yl)ethyl]triazol-4-yl]methanol
SMILESOCc1cn(CCN2CCCCCC2)nn1
InChIInChI=1S/C11H20N4O/c16-10-11-9-15(13-12-11)8-7-14-5-3-1-2-4-6-14/h9,16H,1-8,10H2
InChIKeyARTBCDKYNQFQTR-UHFFFAOYSA-N
XLogP0.65
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(chloromethyl)-1-(2-pyrrolidin-1-ylethyl)triazole
CID 62399864
[6-[1-[2-(azepan-1-yl)ethyl]triazol-4-yl]-2-pyridinyl]methanol
CID 166278065
N-methyl-1-[1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]methanamine
CID 62438466
N-[[1-[2-(azepan-1-yl)ethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 62438721
2-methyl-N-[[1-(2-piperidin-1-ylethyl)triazol-4-yl]methyl]propan-1-amine
CID 62425058
1-[[1-[2-(azepan-1-yl)ethyl]triazol-4-yl]methyl]pyridin-2-one
CID 154787634
[1-(2-aminoethyl)triazol-4-yl]methanol;hydrochloride
CID 86262352
[1-[[(2S)-1-methylpiperidin-2-yl]methyl]triazol-4-yl]methanol
CID 129493953
[1-[2-(dimethylamino)ethyl]triazol-4-yl]methanol
CID 62399765
N-[[1-[2-(4,4-dimethylazepan-1-yl)ethyl]triazol-4-yl]methyl]ethanamine
CID 65286425
N-[[1-(3-pyrrolidin-1-ylpropyl)triazol-4-yl]methyl]propan-2-amine
CID 66192005
[1-[2-(oxolan-2-yl)ethyl]triazol-4-yl]methanol
CID 65166429

Frequently Asked Questions

What is the IUPAC name of [1-[2-(azepan-1-yl)ethyl]triazol-4-yl]methanol?
The IUPAC name of [1-[2-(azepan-1-yl)ethyl]triazol-4-yl]methanol (CID 78357904) is [1-[2-(azepan-1-yl)ethyl]triazol-4-yl]methanol.
What is the SMILES notation for [1-[2-(azepan-1-yl)ethyl]triazol-4-yl]methanol?
The canonical SMILES for [1-[2-(azepan-1-yl)ethyl]triazol-4-yl]methanol is OCc1cn(CCN2CCCCCC2)nn1.
What is the InChIKey of [1-[2-(azepan-1-yl)ethyl]triazol-4-yl]methanol?
The InChIKey is ARTBCDKYNQFQTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c16-10-11-9-15(13-12-11)8-7-14-5-3-1-2-4-6-14/h9,16H,1-8,10H2.
What are the key properties of [1-[2-(azepan-1-yl)ethyl]triazol-4-yl]methanol?
[1-[2-(azepan-1-yl)ethyl]triazol-4-yl]methanol has a molecular weight of 224.31 g/mol, XLogP of 0.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(azepan-1-yl)ethyl]triazol-4-yl]methanol is sourced from PubChem (CID 78357904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).