1-[1-hydroxy-2-(1-methyltriazol-4-yl)ethyl]cycloheptan-1-ol

C12H21N3O2 — CID 107048234

IUPAC1-[1-hydroxy-2-(1-methyltriazol-4-yl)ethyl]cycloheptan-1-ol
SMILESCn1cc(CC(O)C2(O)CCCCCC2)nn1
InChIInChI=1S/C12H21N3O2/c1-15-9-10(13-14-15)8-11(16)12(17)6-4-2-3-5-7-12/h9,11,16-17H,2-8H2,1H3
InChIKeyQHAQEGRZTLMZML-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.80
Rot. Bonds3

About 1-[1-hydroxy-2-(1-methyltriazol-4-yl)ethyl]cycloheptan-1-ol

1-[1-hydroxy-2-(1-methyltriazol-4-yl)ethyl]cycloheptan-1-ol (PubChem CID 107048234) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 1-[1-hydroxy-2-(1-methyltriazol-4-yl)ethyl]cycloheptan-1-ol.

Molecular Properties

Compound Name1-[1-hydroxy-2-(1-methyltriazol-4-yl)ethyl]cycloheptan-1-ol
PubChem CID107048234
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name1-[1-hydroxy-2-(1-methyltriazol-4-yl)ethyl]cycloheptan-1-ol
SMILESCn1cc(CC(O)C2(O)CCCCCC2)nn1
InChIInChI=1S/C12H21N3O2/c1-15-9-10(13-14-15)8-11(16)12(17)6-4-2-3-5-7-12/h9,11,16-17H,2-8H2,1H3
InChIKeyQHAQEGRZTLMZML-UHFFFAOYSA-N
XLogP0.80
TPSA71.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-ethoxycycloheptyl)-2-(1-methyltriazol-4-yl)ethanol
CID 107048191
1-[(1-methyltriazol-4-yl)methyl]cycloheptan-1-ol
CID 107045687
1-[(1-methyltriazol-4-yl)methyl]cyclohexan-1-ol
CID 107045659
1-(1-methylcyclopentyl)-2-(1-methyltriazol-4-yl)ethanamine
CID 107063793
1-cyclobutyl-2-(1-methyltriazol-4-yl)ethanol
CID 107046208
1-(1-aminocyclohexyl)-2-(1-methyltriazol-4-yl)ethanone
CID 107061763
1-[1-hydroxy-2-(1-propan-2-ylpyrazol-3-yl)ethyl]cycloheptan-1-ol
CID 103452043
1-[2-(1-butan-2-ylpyrazol-3-yl)-1-hydroxyethyl]cycloheptan-1-ol
CID 103452203
(2R)-2-hydroxy-3-(1-methyltriazol-4-yl)propanoic acid
CID 124681337
N-methyl-2-(1-methyltriazol-4-yl)-1-(1-piperidin-1-ylcyclopentyl)ethanamine
CID 107049969
N-methyl-1-(2-methyloxan-2-yl)-2-(1-methyltriazol-4-yl)ethanamine
CID 107050468
1-(2-methyloxolan-2-yl)-2-(1-methyltriazol-4-yl)ethanamine
CID 107050311

Frequently Asked Questions

What is the IUPAC name of 1-[1-hydroxy-2-(1-methyltriazol-4-yl)ethyl]cycloheptan-1-ol?
The IUPAC name of 1-[1-hydroxy-2-(1-methyltriazol-4-yl)ethyl]cycloheptan-1-ol (CID 107048234) is 1-[1-hydroxy-2-(1-methyltriazol-4-yl)ethyl]cycloheptan-1-ol.
What is the SMILES notation for 1-[1-hydroxy-2-(1-methyltriazol-4-yl)ethyl]cycloheptan-1-ol?
The canonical SMILES for 1-[1-hydroxy-2-(1-methyltriazol-4-yl)ethyl]cycloheptan-1-ol is Cn1cc(CC(O)C2(O)CCCCCC2)nn1.
What is the InChIKey of 1-[1-hydroxy-2-(1-methyltriazol-4-yl)ethyl]cycloheptan-1-ol?
The InChIKey is QHAQEGRZTLMZML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-15-9-10(13-14-15)8-11(16)12(17)6-4-2-3-5-7-12/h9,11,16-17H,2-8H2,1H3.
What are the key properties of 1-[1-hydroxy-2-(1-methyltriazol-4-yl)ethyl]cycloheptan-1-ol?
1-[1-hydroxy-2-(1-methyltriazol-4-yl)ethyl]cycloheptan-1-ol has a molecular weight of 239.32 g/mol, XLogP of 0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-hydroxy-2-(1-methyltriazol-4-yl)ethyl]cycloheptan-1-ol is sourced from PubChem (CID 107048234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).