[5-(3-methoxyphenyl)-1-(2-methylpropyl)triazol-4-yl]methanol

C14H19N3O2 — CID 82208617

IUPAC[5-(3-methoxyphenyl)-1-(2-methylpropyl)triazol-4-yl]methanol
SMILESCOc1cccc(-c2c(CO)nnn2CC(C)C)c1
InChIInChI=1S/C14H19N3O2/c1-10(2)8-17-14(13(9-18)15-16-17)11-5-4-6-12(7-11)19-3/h4-7,10,18H,8-9H2,1-3H3
InChIKeyXCFHRKYIFWDZGK-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.10
Rot. Bonds5

About [5-(3-methoxyphenyl)-1-(2-methylpropyl)triazol-4-yl]methanol

[5-(3-methoxyphenyl)-1-(2-methylpropyl)triazol-4-yl]methanol (PubChem CID 82208617) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is [5-(3-methoxyphenyl)-1-(2-methylpropyl)triazol-4-yl]methanol.

Molecular Properties

Compound Name[5-(3-methoxyphenyl)-1-(2-methylpropyl)triazol-4-yl]methanol
PubChem CID82208617
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name[5-(3-methoxyphenyl)-1-(2-methylpropyl)triazol-4-yl]methanol
SMILESCOc1cccc(-c2c(CO)nnn2CC(C)C)c1
InChIInChI=1S/C14H19N3O2/c1-10(2)8-17-14(13(9-18)15-16-17)11-5-4-6-12(7-11)19-3/h4-7,10,18H,8-9H2,1-3H3
InChIKeyXCFHRKYIFWDZGK-UHFFFAOYSA-N
XLogP2.10
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-methoxyphenyl)-1-(2-methylpropyl)triazole-4-carbaldehyde
CID 82208619
[1-(2-methylpropyl)-5-pyridin-3-yltriazol-4-yl]methanol
CID 82208683
[5-(4-bromophenyl)-1-(2-methylpropyl)triazol-4-yl]methanol
CID 94944799
[5-(3-bromophenyl)-1-(2-methylpropyl)triazol-4-yl]methanamine
CID 94944816
[5-(3-methoxyphenyl)-1-propyltriazol-4-yl]methanamine
CID 82205137
3-[5-(3-chlorophenyl)-4-(hydroxymethyl)triazol-1-yl]propane-1,2-diol
CID 82210298
[5-(3-methoxyphenyl)-1-methyltriazol-4-yl]methanamine
CID 82207885
[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(3-methoxyphenyl)triazol-4-yl]methanol
CID 56769361
[1-(3-methoxyphenyl)-5-(4-methylphenyl)triazol-4-yl]methanol
CID 56769452
[1-[(3-fluorophenyl)methyl]-5-(3-methoxyphenyl)triazol-4-yl]methanamine
CID 94946400
1-(2-hydroxyethyl)-5-(3-methoxyphenyl)triazole-4-carboxylic acid
CID 82209873
[5-(3,4-dimethylphenyl)-1-(2-methylpropyl)triazol-4-yl]methanamine
CID 82208795

Frequently Asked Questions

What is the IUPAC name of [5-(3-methoxyphenyl)-1-(2-methylpropyl)triazol-4-yl]methanol?
The IUPAC name of [5-(3-methoxyphenyl)-1-(2-methylpropyl)triazol-4-yl]methanol (CID 82208617) is [5-(3-methoxyphenyl)-1-(2-methylpropyl)triazol-4-yl]methanol.
What is the SMILES notation for [5-(3-methoxyphenyl)-1-(2-methylpropyl)triazol-4-yl]methanol?
The canonical SMILES for [5-(3-methoxyphenyl)-1-(2-methylpropyl)triazol-4-yl]methanol is COc1cccc(-c2c(CO)nnn2CC(C)C)c1.
What is the InChIKey of [5-(3-methoxyphenyl)-1-(2-methylpropyl)triazol-4-yl]methanol?
The InChIKey is XCFHRKYIFWDZGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-10(2)8-17-14(13(9-18)15-16-17)11-5-4-6-12(7-11)19-3/h4-7,10,18H,8-9H2,1-3H3.
What are the key properties of [5-(3-methoxyphenyl)-1-(2-methylpropyl)triazol-4-yl]methanol?
[5-(3-methoxyphenyl)-1-(2-methylpropyl)triazol-4-yl]methanol has a molecular weight of 261.32 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-methoxyphenyl)-1-(2-methylpropyl)triazol-4-yl]methanol is sourced from PubChem (CID 82208617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).