1-[[4-(1-hydroxyethyl)triazol-1-yl]methyl]cyclohexan-1-ol

C11H19N3O2 — CID 81444205

IUPAC1-[[4-(1-hydroxyethyl)triazol-1-yl]methyl]cyclohexan-1-ol
SMILESCC(O)c1cn(CC2(O)CCCCC2)nn1
InChIInChI=1S/C11H19N3O2/c1-9(15)10-7-14(13-12-10)8-11(16)5-3-2-4-6-11/h7,9,15-16H,2-6,8H2,1H3
InChIKeyAOEJKXVONCGJMK-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.03
Rot. Bonds3

About 1-[[4-(1-hydroxyethyl)triazol-1-yl]methyl]cyclohexan-1-ol

1-[[4-(1-hydroxyethyl)triazol-1-yl]methyl]cyclohexan-1-ol (PubChem CID 81444205) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 1-[[4-(1-hydroxyethyl)triazol-1-yl]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[4-(1-hydroxyethyl)triazol-1-yl]methyl]cyclohexan-1-ol
PubChem CID81444205
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name1-[[4-(1-hydroxyethyl)triazol-1-yl]methyl]cyclohexan-1-ol
SMILESCC(O)c1cn(CC2(O)CCCCC2)nn1
InChIInChI=1S/C11H19N3O2/c1-9(15)10-7-14(13-12-10)8-11(16)5-3-2-4-6-11/h7,9,15-16H,2-6,8H2,1H3
InChIKeyAOEJKXVONCGJMK-UHFFFAOYSA-N
XLogP1.03
TPSA71.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(1-hydroxyethyl)triazol-1-yl]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[4-(1-hydroxyethyl)triazol-1-yl]methyl]cyclohexan-1-ol (CID 81444205) is 1-[[4-(1-hydroxyethyl)triazol-1-yl]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[4-(1-hydroxyethyl)triazol-1-yl]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[4-(1-hydroxyethyl)triazol-1-yl]methyl]cyclohexan-1-ol is CC(O)c1cn(CC2(O)CCCCC2)nn1.
What is the InChIKey of 1-[[4-(1-hydroxyethyl)triazol-1-yl]methyl]cyclohexan-1-ol?
The InChIKey is AOEJKXVONCGJMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-9(15)10-7-14(13-12-10)8-11(16)5-3-2-4-6-11/h7,9,15-16H,2-6,8H2,1H3.
What are the key properties of 1-[[4-(1-hydroxyethyl)triazol-1-yl]methyl]cyclohexan-1-ol?
1-[[4-(1-hydroxyethyl)triazol-1-yl]methyl]cyclohexan-1-ol has a molecular weight of 225.29 g/mol, XLogP of 1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(1-hydroxyethyl)triazol-1-yl]methyl]cyclohexan-1-ol is sourced from PubChem (CID 81444205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).