[5-cyclobutyl-1-[2-(3-methylphenoxy)ethyl]triazol-4-yl]methanol

C16H21N3O2 — CID 82209110

IUPAC[5-cyclobutyl-1-[2-(3-methylphenoxy)ethyl]triazol-4-yl]methanol
SMILESCc1cccc(OCCn2nnc(CO)c2C2CCC2)c1
InChIInChI=1S/C16H21N3O2/c1-12-4-2-7-14(10-12)21-9-8-19-16(13-5-3-6-13)15(11-20)17-18-19/h2,4,7,10,13,20H,3,5-6,8-9,11H2,1H3
InChIKeySKGUAPOYQDGSKT-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.43
Rot. Bonds6

About [5-cyclobutyl-1-[2-(3-methylphenoxy)ethyl]triazol-4-yl]methanol

[5-cyclobutyl-1-[2-(3-methylphenoxy)ethyl]triazol-4-yl]methanol (PubChem CID 82209110) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is [5-cyclobutyl-1-[2-(3-methylphenoxy)ethyl]triazol-4-yl]methanol.

Molecular Properties

Compound Name[5-cyclobutyl-1-[2-(3-methylphenoxy)ethyl]triazol-4-yl]methanol
PubChem CID82209110
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name[5-cyclobutyl-1-[2-(3-methylphenoxy)ethyl]triazol-4-yl]methanol
SMILESCc1cccc(OCCn2nnc(CO)c2C2CCC2)c1
InChIInChI=1S/C16H21N3O2/c1-12-4-2-7-14(10-12)21-9-8-19-16(13-5-3-6-13)15(11-20)17-18-19/h2,4,7,10,13,20H,3,5-6,8-9,11H2,1H3
InChIKeySKGUAPOYQDGSKT-UHFFFAOYSA-N
XLogP2.43
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-cyclohexyl-1-[2-(3-methylphenoxy)ethyl]triazol-4-yl]methanol
CID 94944899
[1-[2-(3-methylphenoxy)ethyl]-5-pyridin-4-yltriazol-4-yl]methanol
CID 94944919
1-[2-(3-methylphenoxy)ethyl]-5-(oxolan-2-yl)triazole-4-carbaldehyde
CID 82209097
[5-(methoxymethyl)-1-[2-(3-methylphenoxy)ethyl]triazol-4-yl]methanamine
CID 82209124
5-cyclobutyl-1-[2-(4-methylphenoxy)ethyl]triazole-4-carbaldehyde
CID 82209194
[1-[2-(3-methylphenoxy)ethyl]-5-propyltriazol-4-yl]methanamine
CID 82209115
9-[2-(3-methylphenoxy)ethyl]-9-azabicyclo[3.3.1]nonan-3-one
CID 62712519
2-[(3S)-1-[2-(3-methylphenoxy)ethyl]piperidin-3-yl]ethanol
CID 94409239
[3-methyl-1-[2-(3-methylphenoxy)ethyl]pyrrolidin-2-yl]methanol
CID 102788914
1-[2-(3-methylphenoxy)ethyl]-5-propyltriazole-4-carbaldehyde
CID 82209076
[1-[3-(3-methylphenoxy)propyl]triazol-4-yl]methanol
CID 62401478
ethyl 1-[2-(3-methylphenoxy)ethyl]tetrazole-5-carboxylate
CID 79317699

Frequently Asked Questions

What is the IUPAC name of [5-cyclobutyl-1-[2-(3-methylphenoxy)ethyl]triazol-4-yl]methanol?
The IUPAC name of [5-cyclobutyl-1-[2-(3-methylphenoxy)ethyl]triazol-4-yl]methanol (CID 82209110) is [5-cyclobutyl-1-[2-(3-methylphenoxy)ethyl]triazol-4-yl]methanol.
What is the SMILES notation for [5-cyclobutyl-1-[2-(3-methylphenoxy)ethyl]triazol-4-yl]methanol?
The canonical SMILES for [5-cyclobutyl-1-[2-(3-methylphenoxy)ethyl]triazol-4-yl]methanol is Cc1cccc(OCCn2nnc(CO)c2C2CCC2)c1.
What is the InChIKey of [5-cyclobutyl-1-[2-(3-methylphenoxy)ethyl]triazol-4-yl]methanol?
The InChIKey is SKGUAPOYQDGSKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-12-4-2-7-14(10-12)21-9-8-19-16(13-5-3-6-13)15(11-20)17-18-19/h2,4,7,10,13,20H,3,5-6,8-9,11H2,1H3.
What are the key properties of [5-cyclobutyl-1-[2-(3-methylphenoxy)ethyl]triazol-4-yl]methanol?
[5-cyclobutyl-1-[2-(3-methylphenoxy)ethyl]triazol-4-yl]methanol has a molecular weight of 287.36 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-cyclobutyl-1-[2-(3-methylphenoxy)ethyl]triazol-4-yl]methanol is sourced from PubChem (CID 82209110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).