[5-(cyclohexylmethyl)-4-phenyl-1,2,4-triazol-3-yl]methanol

C16H21N3O — CID 115395849

IUPAC[5-(cyclohexylmethyl)-4-phenyl-1,2,4-triazol-3-yl]methanol
SMILESOCc1nnc(CC2CCCCC2)n1-c1ccccc1
InChIInChI=1S/C16H21N3O/c20-12-16-18-17-15(11-13-7-3-1-4-8-13)19(16)14-9-5-2-6-10-14/h2,5-6,9-10,13,20H,1,3-4,7-8,11-12H2
InChIKeyUZBRCIPOKLQEFN-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.88
Rot. Bonds4

About [5-(cyclohexylmethyl)-4-phenyl-1,2,4-triazol-3-yl]methanol

[5-(cyclohexylmethyl)-4-phenyl-1,2,4-triazol-3-yl]methanol (PubChem CID 115395849) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is [5-(cyclohexylmethyl)-4-phenyl-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[5-(cyclohexylmethyl)-4-phenyl-1,2,4-triazol-3-yl]methanol
PubChem CID115395849
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name[5-(cyclohexylmethyl)-4-phenyl-1,2,4-triazol-3-yl]methanol
SMILESOCc1nnc(CC2CCCCC2)n1-c1ccccc1
InChIInChI=1S/C16H21N3O/c20-12-16-18-17-15(11-13-7-3-1-4-8-13)19(16)14-9-5-2-6-10-14/h2,5-6,9-10,13,20H,1,3-4,7-8,11-12H2
InChIKeyUZBRCIPOKLQEFN-UHFFFAOYSA-N
XLogP2.88
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[5-(cyclohexylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 91484468
[5-(oxan-4-yl)-4-phenyl-1,2,4-triazol-3-yl]methanol
CID 115395856
[5-(1-cyclopropylethyl)-4-phenyl-1,2,4-triazol-3-yl]methanol
CID 83152356
[5-(3-methylbutyl)-4-phenyl-1,2,4-triazol-3-yl]methanol
CID 115395785
[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]methanol
CID 115395824
2-[[4-phenyl-5-(piperidin-4-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanol;hydrochloride
CID 154895788
3-(2-cyclohexylethyl)-4-phenyl-1,2,4-triazole
CID 115393404
[5-(2,4-dimethylphenyl)-4-phenyl-1,2,4-triazol-3-yl]methanol
CID 115395828
[5-(3,4-difluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]methanol
CID 115395862
[4-tert-butyl-5-(cyclobutylmethyl)-1,2,4-triazol-3-yl]methanol
CID 103167572
3-(cyclohexylmethyl)-4-hydroxy-1-phenyl-1,8-naphthyridin-2-one
CID 54735431
4-[[5-[[(2S)-oxan-2-yl]methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]methyl]piperidine
CID 96580253

Frequently Asked Questions

What is the IUPAC name of [5-(cyclohexylmethyl)-4-phenyl-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [5-(cyclohexylmethyl)-4-phenyl-1,2,4-triazol-3-yl]methanol (CID 115395849) is [5-(cyclohexylmethyl)-4-phenyl-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [5-(cyclohexylmethyl)-4-phenyl-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [5-(cyclohexylmethyl)-4-phenyl-1,2,4-triazol-3-yl]methanol is OCc1nnc(CC2CCCCC2)n1-c1ccccc1.
What is the InChIKey of [5-(cyclohexylmethyl)-4-phenyl-1,2,4-triazol-3-yl]methanol?
The InChIKey is UZBRCIPOKLQEFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c20-12-16-18-17-15(11-13-7-3-1-4-8-13)19(16)14-9-5-2-6-10-14/h2,5-6,9-10,13,20H,1,3-4,7-8,11-12H2.
What are the key properties of [5-(cyclohexylmethyl)-4-phenyl-1,2,4-triazol-3-yl]methanol?
[5-(cyclohexylmethyl)-4-phenyl-1,2,4-triazol-3-yl]methanol has a molecular weight of 271.36 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(cyclohexylmethyl)-4-phenyl-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 115395849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).