[5-butyl-1-(2-fluorophenyl)triazol-4-yl]methanol

C13H16FN3O — CID 82196453

IUPAC[5-butyl-1-(2-fluorophenyl)triazol-4-yl]methanol
SMILESCCCCc1c(CO)nnn1-c1ccccc1F
InChIInChI=1S/C13H16FN3O/c1-2-3-7-13-11(9-18)15-16-17(13)12-8-5-4-6-10(12)14/h4-6,8,18H,2-3,7,9H2,1H3
InChIKeyIEENPMCWUQCLHT-UHFFFAOYSA-N
MW249.29 g/mol
LogP2.24
Rot. Bonds5

About [5-butyl-1-(2-fluorophenyl)triazol-4-yl]methanol

[5-butyl-1-(2-fluorophenyl)triazol-4-yl]methanol (PubChem CID 82196453) has the molecular formula C13H16FN3O and a molecular weight of 249.29 g/mol. Its IUPAC name is [5-butyl-1-(2-fluorophenyl)triazol-4-yl]methanol.

Molecular Properties

Compound Name[5-butyl-1-(2-fluorophenyl)triazol-4-yl]methanol
PubChem CID82196453
Molecular FormulaC13H16FN3O
Molecular Weight249.29 g/mol
Exact Mass249.13
IUPAC Name[5-butyl-1-(2-fluorophenyl)triazol-4-yl]methanol
SMILESCCCCc1c(CO)nnn1-c1ccccc1F
InChIInChI=1S/C13H16FN3O/c1-2-3-7-13-11(9-18)15-16-17(13)12-8-5-4-6-10(12)14/h4-6,8,18H,2-3,7,9H2,1H3
InChIKeyIEENPMCWUQCLHT-UHFFFAOYSA-N
XLogP2.24
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-ethyl-1-(2-fluorophenyl)triazol-4-yl]methanol
CID 56686714
[5-butyl-1-(4-fluorophenyl)triazol-4-yl]methanol
CID 82196737
5-butyl-1-(2-fluorophenyl)triazole-4-carbonitrile
CID 82196454
[1-(2-fluorophenyl)-5-methyltriazol-4-yl]methanol;hydrochloride
CID 155821941
[5-butyl-1-(2,5-dimethylphenyl)triazol-4-yl]methanol
CID 82195788
[5-tert-butyl-1-(2-fluorophenyl)triazol-4-yl]methanol
CID 56686716
[5-ethyl-1-(2-fluorophenyl)triazol-4-yl]methanamine
CID 82196549
[5-ethyl-3-(2-fluorophenyl)triazol-4-yl]methanamine
CID 105475486
[1-(2-fluorophenyl)-5-(trichloromethyl)triazol-4-yl]methanol
CID 94937256
methyl 1-(2-fluorophenyl)-5-propyltriazole-4-carboxylate
CID 94068960
[1-(4-fluorophenyl)-5-propyltriazol-4-yl]methanol
CID 56686734
2-[5-butyl-1-(2-fluorophenyl)triazol-4-yl]-4-(2-fluorophenyl)-1,3-oxazole
CID 70990591

Frequently Asked Questions

What is the IUPAC name of [5-butyl-1-(2-fluorophenyl)triazol-4-yl]methanol?
The IUPAC name of [5-butyl-1-(2-fluorophenyl)triazol-4-yl]methanol (CID 82196453) is [5-butyl-1-(2-fluorophenyl)triazol-4-yl]methanol.
What is the SMILES notation for [5-butyl-1-(2-fluorophenyl)triazol-4-yl]methanol?
The canonical SMILES for [5-butyl-1-(2-fluorophenyl)triazol-4-yl]methanol is CCCCc1c(CO)nnn1-c1ccccc1F.
What is the InChIKey of [5-butyl-1-(2-fluorophenyl)triazol-4-yl]methanol?
The InChIKey is IEENPMCWUQCLHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O/c1-2-3-7-13-11(9-18)15-16-17(13)12-8-5-4-6-10(12)14/h4-6,8,18H,2-3,7,9H2,1H3.
What are the key properties of [5-butyl-1-(2-fluorophenyl)triazol-4-yl]methanol?
[5-butyl-1-(2-fluorophenyl)triazol-4-yl]methanol has a molecular weight of 249.29 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-butyl-1-(2-fluorophenyl)triazol-4-yl]methanol is sourced from PubChem (CID 82196453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).