4-propan-2-yl-3-(triazol-1-yl)cyclohexan-1-ol

C11H19N3O — CID 165496554

IUPAC4-propan-2-yl-3-(triazol-1-yl)cyclohexan-1-ol
SMILESCC(C)C1CCC(O)CC1n1ccnn1
InChIInChI=1S/C11H19N3O/c1-8(2)10-4-3-9(15)7-11(10)14-6-5-12-13-14/h5-6,8-11,15H,3-4,7H2,1-2H3
InChIKeyNOAONKJBGNTNPG-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.64
Rot. Bonds2

About 4-propan-2-yl-3-(triazol-1-yl)cyclohexan-1-ol

4-propan-2-yl-3-(triazol-1-yl)cyclohexan-1-ol (PubChem CID 165496554) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 4-propan-2-yl-3-(triazol-1-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-propan-2-yl-3-(triazol-1-yl)cyclohexan-1-ol
PubChem CID165496554
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name4-propan-2-yl-3-(triazol-1-yl)cyclohexan-1-ol
SMILESCC(C)C1CCC(O)CC1n1ccnn1
InChIInChI=1S/C11H19N3O/c1-8(2)10-4-3-9(15)7-11(10)14-6-5-12-13-14/h5-6,8-11,15H,3-4,7H2,1-2H3
InChIKeyNOAONKJBGNTNPG-UHFFFAOYSA-N
XLogP1.64
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-3-(triazol-1-yl)cyclohexan-1-ol?
The IUPAC name of 4-propan-2-yl-3-(triazol-1-yl)cyclohexan-1-ol (CID 165496554) is 4-propan-2-yl-3-(triazol-1-yl)cyclohexan-1-ol.
What is the SMILES notation for 4-propan-2-yl-3-(triazol-1-yl)cyclohexan-1-ol?
The canonical SMILES for 4-propan-2-yl-3-(triazol-1-yl)cyclohexan-1-ol is CC(C)C1CCC(O)CC1n1ccnn1.
What is the InChIKey of 4-propan-2-yl-3-(triazol-1-yl)cyclohexan-1-ol?
The InChIKey is NOAONKJBGNTNPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-8(2)10-4-3-9(15)7-11(10)14-6-5-12-13-14/h5-6,8-11,15H,3-4,7H2,1-2H3.
What are the key properties of 4-propan-2-yl-3-(triazol-1-yl)cyclohexan-1-ol?
4-propan-2-yl-3-(triazol-1-yl)cyclohexan-1-ol has a molecular weight of 209.29 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-3-(triazol-1-yl)cyclohexan-1-ol is sourced from PubChem (CID 165496554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).