cyclohexyl-phenyl-[2-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]methanol

C20H28N4O — CID 59145963

IUPACcyclohexyl-phenyl-[2-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]methanol
SMILESOC(c1ccccc1)(c1ncnn1CN1CCCC1)C1CCCCC1
InChIInChI=1S/C20H28N4O/c25-20(17-9-3-1-4-10-17,18-11-5-2-6-12-18)19-21-15-22-24(19)16-23-13-7-8-14-23/h1,3-4,9-10,15,18,25H,2,5-8,11-14,16H2
InChIKeyZYKBKCVTDSZODP-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.15
Rot. Bonds5

About cyclohexyl-phenyl-[2-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]methanol

cyclohexyl-phenyl-[2-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]methanol (PubChem CID 59145963) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is cyclohexyl-phenyl-[2-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Namecyclohexyl-phenyl-[2-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]methanol
PubChem CID59145963
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC Namecyclohexyl-phenyl-[2-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]methanol
SMILESOC(c1ccccc1)(c1ncnn1CN1CCCC1)C1CCCCC1
InChIInChI=1S/C20H28N4O/c25-20(17-9-3-1-4-10-17,18-11-5-2-6-12-18)19-21-15-22-24(19)16-23-13-7-8-14-23/h1,3-4,9-10,15,18,25H,2,5-8,11-14,16H2
InChIKeyZYKBKCVTDSZODP-UHFFFAOYSA-N
XLogP3.15
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze cyclohexyl-phenyl-[2-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-phenyl-[2-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]methanol?
The IUPAC name of cyclohexyl-phenyl-[2-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]methanol (CID 59145963) is cyclohexyl-phenyl-[2-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for cyclohexyl-phenyl-[2-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for cyclohexyl-phenyl-[2-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]methanol is OC(c1ccccc1)(c1ncnn1CN1CCCC1)C1CCCCC1.
What is the InChIKey of cyclohexyl-phenyl-[2-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]methanol?
The InChIKey is ZYKBKCVTDSZODP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c25-20(17-9-3-1-4-10-17,18-11-5-2-6-12-18)19-21-15-22-24(19)16-23-13-7-8-14-23/h1,3-4,9-10,15,18,25H,2,5-8,11-14,16H2.
What are the key properties of cyclohexyl-phenyl-[2-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]methanol?
cyclohexyl-phenyl-[2-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]methanol has a molecular weight of 340.47 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-phenyl-[2-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 59145963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).