3-(5-cyclohexyltriazol-1-yl)propan-1-ol

C11H19N3O — CID 115026567

IUPAC3-(5-cyclohexyltriazol-1-yl)propan-1-ol
SMILESOCCCn1nncc1C1CCCCC1
InChIInChI=1S/C11H19N3O/c15-8-4-7-14-11(9-12-13-14)10-5-2-1-3-6-10/h9-10,15H,1-8H2
InChIKeyFEHANOBFCXUMBK-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.71
Rot. Bonds4

About 3-(5-cyclohexyltriazol-1-yl)propan-1-ol

3-(5-cyclohexyltriazol-1-yl)propan-1-ol (PubChem CID 115026567) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 3-(5-cyclohexyltriazol-1-yl)propan-1-ol.

Molecular Properties

Compound Name3-(5-cyclohexyltriazol-1-yl)propan-1-ol
PubChem CID115026567
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name3-(5-cyclohexyltriazol-1-yl)propan-1-ol
SMILESOCCCn1nncc1C1CCCCC1
InChIInChI=1S/C11H19N3O/c15-8-4-7-14-11(9-12-13-14)10-5-2-1-3-6-10/h9-10,15H,1-8H2
InChIKeyFEHANOBFCXUMBK-UHFFFAOYSA-N
XLogP1.71
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-cyclohexyltriazol-1-yl)propan-1-ol?
The IUPAC name of 3-(5-cyclohexyltriazol-1-yl)propan-1-ol (CID 115026567) is 3-(5-cyclohexyltriazol-1-yl)propan-1-ol.
What is the SMILES notation for 3-(5-cyclohexyltriazol-1-yl)propan-1-ol?
The canonical SMILES for 3-(5-cyclohexyltriazol-1-yl)propan-1-ol is OCCCn1nncc1C1CCCCC1.
What is the InChIKey of 3-(5-cyclohexyltriazol-1-yl)propan-1-ol?
The InChIKey is FEHANOBFCXUMBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c15-8-4-7-14-11(9-12-13-14)10-5-2-1-3-6-10/h9-10,15H,1-8H2.
What are the key properties of 3-(5-cyclohexyltriazol-1-yl)propan-1-ol?
3-(5-cyclohexyltriazol-1-yl)propan-1-ol has a molecular weight of 209.29 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-cyclohexyltriazol-1-yl)propan-1-ol is sourced from PubChem (CID 115026567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).