3-[1-(cyclohexylmethyl)triazol-4-yl]propan-1-ol

C12H21N3O — CID 24789332

IUPAC3-[1-(cyclohexylmethyl)triazol-4-yl]propan-1-ol
SMILESOCCCc1cn(CC2CCCCC2)nn1
InChIInChI=1S/C12H21N3O/c16-8-4-7-12-10-15(14-13-12)9-11-5-2-1-3-6-11/h10-11,16H,1-9H2
InChIKeyRGBIADCDZNOAIP-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.78
Rot. Bonds5

About 3-[1-(cyclohexylmethyl)triazol-4-yl]propan-1-ol

3-[1-(cyclohexylmethyl)triazol-4-yl]propan-1-ol (PubChem CID 24789332) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 3-[1-(cyclohexylmethyl)triazol-4-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-(cyclohexylmethyl)triazol-4-yl]propan-1-ol
PubChem CID24789332
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name3-[1-(cyclohexylmethyl)triazol-4-yl]propan-1-ol
SMILESOCCCc1cn(CC2CCCCC2)nn1
InChIInChI=1S/C12H21N3O/c16-8-4-7-12-10-15(14-13-12)9-11-5-2-1-3-6-11/h10-11,16H,1-9H2
InChIKeyRGBIADCDZNOAIP-UHFFFAOYSA-N
XLogP1.78
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(cyclohexylmethyl)triazol-4-yl]propan-1-ol?
The IUPAC name of 3-[1-(cyclohexylmethyl)triazol-4-yl]propan-1-ol (CID 24789332) is 3-[1-(cyclohexylmethyl)triazol-4-yl]propan-1-ol.
What is the SMILES notation for 3-[1-(cyclohexylmethyl)triazol-4-yl]propan-1-ol?
The canonical SMILES for 3-[1-(cyclohexylmethyl)triazol-4-yl]propan-1-ol is OCCCc1cn(CC2CCCCC2)nn1.
What is the InChIKey of 3-[1-(cyclohexylmethyl)triazol-4-yl]propan-1-ol?
The InChIKey is RGBIADCDZNOAIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c16-8-4-7-12-10-15(14-13-12)9-11-5-2-1-3-6-11/h10-11,16H,1-9H2.
What are the key properties of 3-[1-(cyclohexylmethyl)triazol-4-yl]propan-1-ol?
3-[1-(cyclohexylmethyl)triazol-4-yl]propan-1-ol has a molecular weight of 223.32 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(cyclohexylmethyl)triazol-4-yl]propan-1-ol is sourced from PubChem (CID 24789332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).