[5-(2-cyclohexylethyl)-1-(4-methylphenyl)triazol-4-yl]methanol

C18H25N3O — CID 82199175

IUPAC[5-(2-cyclohexylethyl)-1-(4-methylphenyl)triazol-4-yl]methanol
SMILESCc1ccc(-n2nnc(CO)c2CCC2CCCCC2)cc1
InChIInChI=1S/C18H25N3O/c1-14-7-10-16(11-8-14)21-18(17(13-22)19-20-21)12-9-15-5-3-2-4-6-15/h7-8,10-11,15,22H,2-6,9,12-13H2,1H3
InChIKeyZEYNTXCZSZVFAF-UHFFFAOYSA-N
MW299.42 g/mol
LogP3.58
Rot. Bonds5

About [5-(2-cyclohexylethyl)-1-(4-methylphenyl)triazol-4-yl]methanol

[5-(2-cyclohexylethyl)-1-(4-methylphenyl)triazol-4-yl]methanol (PubChem CID 82199175) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is [5-(2-cyclohexylethyl)-1-(4-methylphenyl)triazol-4-yl]methanol.

Molecular Properties

Compound Name[5-(2-cyclohexylethyl)-1-(4-methylphenyl)triazol-4-yl]methanol
PubChem CID82199175
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC Name[5-(2-cyclohexylethyl)-1-(4-methylphenyl)triazol-4-yl]methanol
SMILESCc1ccc(-n2nnc(CO)c2CCC2CCCCC2)cc1
InChIInChI=1S/C18H25N3O/c1-14-7-10-16(11-8-14)21-18(17(13-22)19-20-21)12-9-15-5-3-2-4-6-15/h7-8,10-11,15,22H,2-6,9,12-13H2,1H3
InChIKeyZEYNTXCZSZVFAF-UHFFFAOYSA-N
XLogP3.58
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(2-cyclohexylethyl)-1-(4-methylphenyl)triazol-4-yl]methanol?
The IUPAC name of [5-(2-cyclohexylethyl)-1-(4-methylphenyl)triazol-4-yl]methanol (CID 82199175) is [5-(2-cyclohexylethyl)-1-(4-methylphenyl)triazol-4-yl]methanol.
What is the SMILES notation for [5-(2-cyclohexylethyl)-1-(4-methylphenyl)triazol-4-yl]methanol?
The canonical SMILES for [5-(2-cyclohexylethyl)-1-(4-methylphenyl)triazol-4-yl]methanol is Cc1ccc(-n2nnc(CO)c2CCC2CCCCC2)cc1.
What is the InChIKey of [5-(2-cyclohexylethyl)-1-(4-methylphenyl)triazol-4-yl]methanol?
The InChIKey is ZEYNTXCZSZVFAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O/c1-14-7-10-16(11-8-14)21-18(17(13-22)19-20-21)12-9-15-5-3-2-4-6-15/h7-8,10-11,15,22H,2-6,9,12-13H2,1H3.
What are the key properties of [5-(2-cyclohexylethyl)-1-(4-methylphenyl)triazol-4-yl]methanol?
[5-(2-cyclohexylethyl)-1-(4-methylphenyl)triazol-4-yl]methanol has a molecular weight of 299.42 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-cyclohexylethyl)-1-(4-methylphenyl)triazol-4-yl]methanol is sourced from PubChem (CID 82199175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).