[5-(4-methylphenyl)-1-pentyltriazol-4-yl]methanol

C15H21N3O — CID 82205678

IUPAC[5-(4-methylphenyl)-1-pentyltriazol-4-yl]methanol
SMILESCCCCCn1nnc(CO)c1-c1ccc(C)cc1
InChIInChI=1S/C15H21N3O/c1-3-4-5-10-18-15(14(11-19)16-17-18)13-8-6-12(2)7-9-13/h6-9,19H,3-5,10-11H2,1-2H3
InChIKeyBNRVLKCXROSVHH-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.94
Rot. Bonds6

About [5-(4-methylphenyl)-1-pentyltriazol-4-yl]methanol

[5-(4-methylphenyl)-1-pentyltriazol-4-yl]methanol (PubChem CID 82205678) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is [5-(4-methylphenyl)-1-pentyltriazol-4-yl]methanol.

Molecular Properties

Compound Name[5-(4-methylphenyl)-1-pentyltriazol-4-yl]methanol
PubChem CID82205678
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name[5-(4-methylphenyl)-1-pentyltriazol-4-yl]methanol
SMILESCCCCCn1nnc(CO)c1-c1ccc(C)cc1
InChIInChI=1S/C15H21N3O/c1-3-4-5-10-18-15(14(11-19)16-17-18)13-8-6-12(2)7-9-13/h6-9,19H,3-5,10-11H2,1-2H3
InChIKeyBNRVLKCXROSVHH-UHFFFAOYSA-N
XLogP2.94
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[5-(4-fluorophenyl)-1-heptyltriazol-4-yl]methanol
CID 82208048
[5-(4-tert-butylphenyl)-1-pentyltriazol-4-yl]methanol
CID 82205705
[5-(3,4-dimethylphenyl)-1-heptyltriazol-4-yl]methanol
CID 82208060
[1-hexyl-5-(4-methylphenyl)triazol-4-yl]methanamine
CID 82206097
[1-heptyl-5-(3-methylphenyl)triazol-4-yl]methanol
CID 82208036
[1-butyl-5-(3,4-dichlorophenyl)triazol-4-yl]methanol
CID 82205346
(1-hexyl-5-pyridin-3-yltriazol-4-yl)methanol
CID 82206041
[1-heptyl-5-[2-(4-methylphenyl)ethyl]triazol-4-yl]methanol
CID 98824391
[5-(2-chlorophenyl)-1-pentyltriazol-4-yl]methanol
CID 82205745
1-heptyl-5-(4-methylphenyl)triazole-4-carbonitrile
CID 82208040
[1-heptyl-5-(2-methoxyphenyl)triazol-4-yl]methanol
CID 82208051
[1-[(4-methylphenyl)methyl]-5-phenyltriazol-4-yl]methanol
CID 82203213

Frequently Asked Questions

What is the IUPAC name of [5-(4-methylphenyl)-1-pentyltriazol-4-yl]methanol?
The IUPAC name of [5-(4-methylphenyl)-1-pentyltriazol-4-yl]methanol (CID 82205678) is [5-(4-methylphenyl)-1-pentyltriazol-4-yl]methanol.
What is the SMILES notation for [5-(4-methylphenyl)-1-pentyltriazol-4-yl]methanol?
The canonical SMILES for [5-(4-methylphenyl)-1-pentyltriazol-4-yl]methanol is CCCCCn1nnc(CO)c1-c1ccc(C)cc1.
What is the InChIKey of [5-(4-methylphenyl)-1-pentyltriazol-4-yl]methanol?
The InChIKey is BNRVLKCXROSVHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-3-4-5-10-18-15(14(11-19)16-17-18)13-8-6-12(2)7-9-13/h6-9,19H,3-5,10-11H2,1-2H3.
What are the key properties of [5-(4-methylphenyl)-1-pentyltriazol-4-yl]methanol?
[5-(4-methylphenyl)-1-pentyltriazol-4-yl]methanol has a molecular weight of 259.35 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-methylphenyl)-1-pentyltriazol-4-yl]methanol is sourced from PubChem (CID 82205678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).