[5-[(4-fluorophenyl)methyl]-1-pentyltriazol-4-yl]methanol

C15H20FN3O — CID 82205720

IUPAC[5-[(4-fluorophenyl)methyl]-1-pentyltriazol-4-yl]methanol
SMILESCCCCCn1nnc(CO)c1Cc1ccc(F)cc1
InChIInChI=1S/C15H20FN3O/c1-2-3-4-9-19-15(14(11-20)17-18-19)10-12-5-7-13(16)8-6-12/h5-8,20H,2-4,9-11H2,1H3
InChIKeyBXKZGTWYYGKDTL-UHFFFAOYSA-N
MW277.34 g/mol
LogP2.69
Rot. Bonds7

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

[5-[(4-fluorophenyl)methyl]-1-pentyltriazol-4-yl]methanol (PubChem CID 82205720) has the molecular formula C15H20FN3O and a molecular weight of 277.34 g/mol. Its IUPAC name is [5-[(4-fluorophenyl)methyl]-1-pentyltriazol-4-yl]methanol.

Molecular Properties

Compound Name[5-[(4-fluorophenyl)methyl]-1-pentyltriazol-4-yl]methanol
PubChem CID82205720
Molecular FormulaC15H20FN3O
Molecular Weight277.34 g/mol
Exact Mass277.16
IUPAC Name[5-[(4-fluorophenyl)methyl]-1-pentyltriazol-4-yl]methanol
SMILESCCCCCn1nnc(CO)c1Cc1ccc(F)cc1
InChIInChI=1S/C15H20FN3O/c1-2-3-4-9-19-15(14(11-20)17-18-19)10-12-5-7-13(16)8-6-12/h5-8,20H,2-4,9-11H2,1H3
InChIKeyBXKZGTWYYGKDTL-UHFFFAOYSA-N
XLogP2.69
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 52.69
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)methyl]-1-propyltriazol-4-yl]methanol
CID 82204986
(5-benzyl-1-butyltriazol-4-yl)methanol
CID 82205364
2-[5-[(4-fluorophenyl)methyl]-4-(hydroxymethyl)triazol-1-yl]-N-methylacetamide
CID 82211268
1-butyl-5-[(4-fluorophenyl)methyl]triazole-4-carboxylic acid
CID 82205240
[5-[(4-fluorophenyl)methyl]-1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]methanol
CID 82211092
[5-(4-fluorophenyl)-1-heptyltriazol-4-yl]methanol
CID 82208048
[1-heptyl-5-[2-(4-methylphenyl)ethyl]triazol-4-yl]methanol
CID 98824391
[5-[(4-methoxyphenyl)methyl]-1-pentyltriazol-4-yl]methanamine
CID 82205856
[5-[(E)-2-(4-fluorophenyl)ethenyl]-1-hexyltriazol-4-yl]methanol
CID 82206066
[5-benzyl-1-(3-phenylpropyl)triazol-4-yl]methanol
CID 94944856
[5-butyl-1-(4-fluorophenyl)triazol-4-yl]methanol
CID 82196737
3-[5-butyl-4-(hydroxymethyl)triazol-1-yl]propan-1-ol
CID 82211464

Frequently Asked Questions

What is the IUPAC name of [5-[(4-fluorophenyl)methyl]-1-pentyltriazol-4-yl]methanol?
The IUPAC name of [5-[(4-fluorophenyl)methyl]-1-pentyltriazol-4-yl]methanol (CID 82205720) is [5-[(4-fluorophenyl)methyl]-1-pentyltriazol-4-yl]methanol.
What is the SMILES notation for [5-[(4-fluorophenyl)methyl]-1-pentyltriazol-4-yl]methanol?
The canonical SMILES for [5-[(4-fluorophenyl)methyl]-1-pentyltriazol-4-yl]methanol is CCCCCn1nnc(CO)c1Cc1ccc(F)cc1.
What is the InChIKey of [5-[(4-fluorophenyl)methyl]-1-pentyltriazol-4-yl]methanol?
The InChIKey is BXKZGTWYYGKDTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O/c1-2-3-4-9-19-15(14(11-20)17-18-19)10-12-5-7-13(16)8-6-12/h5-8,20H,2-4,9-11H2,1H3.
What are the key properties of [5-[(4-fluorophenyl)methyl]-1-pentyltriazol-4-yl]methanol?
[5-[(4-fluorophenyl)methyl]-1-pentyltriazol-4-yl]methanol has a molecular weight of 277.34 g/mol, XLogP of 2.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(4-fluorophenyl)methyl]-1-pentyltriazol-4-yl]methanol is sourced from PubChem (CID 82205720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).