[5-cyclohexyl-1-(4-methoxyphenyl)triazol-4-yl]methanol

C16H21N3O2 — CID 82196201

IUPAC[5-cyclohexyl-1-(4-methoxyphenyl)triazol-4-yl]methanol
SMILESCOc1ccc(-n2nnc(CO)c2C2CCCCC2)cc1
InChIInChI=1S/C16H21N3O2/c1-21-14-9-7-13(8-10-14)19-16(15(11-20)17-18-19)12-5-3-2-4-6-12/h7-10,12,20H,2-6,11H2,1H3
InChIKeyGFGCDIRVGXCGKR-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.82
Rot. Bonds4

About [5-cyclohexyl-1-(4-methoxyphenyl)triazol-4-yl]methanol

[5-cyclohexyl-1-(4-methoxyphenyl)triazol-4-yl]methanol (PubChem CID 82196201) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is [5-cyclohexyl-1-(4-methoxyphenyl)triazol-4-yl]methanol.

Molecular Properties

Compound Name[5-cyclohexyl-1-(4-methoxyphenyl)triazol-4-yl]methanol
PubChem CID82196201
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name[5-cyclohexyl-1-(4-methoxyphenyl)triazol-4-yl]methanol
SMILESCOc1ccc(-n2nnc(CO)c2C2CCCCC2)cc1
InChIInChI=1S/C16H21N3O2/c1-21-14-9-7-13(8-10-14)19-16(15(11-20)17-18-19)12-5-3-2-4-6-12/h7-10,12,20H,2-6,11H2,1H3
InChIKeyGFGCDIRVGXCGKR-UHFFFAOYSA-N
XLogP2.82
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-iodo-1-(4-methoxyphenyl)triazol-4-yl]methanol
CID 125478406
5-cyclobutyl-1-(4-methoxyphenyl)triazole-4-carbaldehyde
CID 82196251
[5-cyclopropyl-1-[4-(pyridin-4-ylmethyl)phenyl]triazol-4-yl]methanol
CID 94939958
[5-cyclobutyl-1-(3,4-dimethoxyphenyl)triazol-4-yl]methanamine
CID 82199564
4-[4-(aminomethyl)-5-cyclohexyltriazol-1-yl]benzoic acid
CID 82200012
[5-cyclopropyl-1-(4-ethoxyphenyl)triazol-4-yl]methanamine
CID 82196033
5-[5-cyclobutyl-4-(hydroxymethyl)triazol-1-yl]benzene-1,3-dicarboxylic acid
CID 94935925
[1-(4-methoxyphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanol
CID 14576135
[5-(4-butylcyclohexyl)-1-phenyltriazol-4-yl]methanol
CID 94939880
[1-(4-chloro-2-methylphenyl)-5-cyclobutyltriazol-4-yl]methanol
CID 82195237
[5-(2-cyclohexylethyl)-1-(4-methylphenyl)triazol-4-yl]methanol
CID 82199175
(5-cyclopropyl-1-naphthalen-1-yltriazol-4-yl)methanol
CID 82199740

Frequently Asked Questions

What is the IUPAC name of [5-cyclohexyl-1-(4-methoxyphenyl)triazol-4-yl]methanol?
The IUPAC name of [5-cyclohexyl-1-(4-methoxyphenyl)triazol-4-yl]methanol (CID 82196201) is [5-cyclohexyl-1-(4-methoxyphenyl)triazol-4-yl]methanol.
What is the SMILES notation for [5-cyclohexyl-1-(4-methoxyphenyl)triazol-4-yl]methanol?
The canonical SMILES for [5-cyclohexyl-1-(4-methoxyphenyl)triazol-4-yl]methanol is COc1ccc(-n2nnc(CO)c2C2CCCCC2)cc1.
What is the InChIKey of [5-cyclohexyl-1-(4-methoxyphenyl)triazol-4-yl]methanol?
The InChIKey is GFGCDIRVGXCGKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-21-14-9-7-13(8-10-14)19-16(15(11-20)17-18-19)12-5-3-2-4-6-12/h7-10,12,20H,2-6,11H2,1H3.
What are the key properties of [5-cyclohexyl-1-(4-methoxyphenyl)triazol-4-yl]methanol?
[5-cyclohexyl-1-(4-methoxyphenyl)triazol-4-yl]methanol has a molecular weight of 287.36 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-cyclohexyl-1-(4-methoxyphenyl)triazol-4-yl]methanol is sourced from PubChem (CID 82196201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).