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

C13H16FN3O — CID 82196737

IUPAC[5-butyl-1-(4-fluorophenyl)triazol-4-yl]methanol
SMILESCCCCc1c(CO)nnn1-c1ccc(F)cc1
InChIInChI=1S/C13H16FN3O/c1-2-3-4-13-12(9-18)15-16-17(13)11-7-5-10(14)6-8-11/h5-8,18H,2-4,9H2,1H3
InChIKeyPDUNGDGBTFWNRC-UHFFFAOYSA-N
MW249.29 g/mol
LogP2.24
Rot. Bonds5

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

[5-butyl-1-(4-fluorophenyl)triazol-4-yl]methanol (PubChem CID 82196737) has the molecular formula C13H16FN3O and a molecular weight of 249.29 g/mol. Its IUPAC name is [5-butyl-1-(4-fluorophenyl)triazol-4-yl]methanol.

Molecular Properties

Compound Name[5-butyl-1-(4-fluorophenyl)triazol-4-yl]methanol
PubChem CID82196737
Molecular FormulaC13H16FN3O
Molecular Weight249.29 g/mol
Exact Mass249.13
IUPAC Name[5-butyl-1-(4-fluorophenyl)triazol-4-yl]methanol
SMILESCCCCc1c(CO)nnn1-c1ccc(F)cc1
InChIInChI=1S/C13H16FN3O/c1-2-3-4-13-12(9-18)15-16-17(13)11-7-5-10(14)6-8-11/h5-8,18H,2-4,9H2,1H3
InChIKeyPDUNGDGBTFWNRC-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

[1-(4-fluorophenyl)-5-propyltriazol-4-yl]methanol
CID 56686734
[5-butyl-1-(2-fluorophenyl)triazol-4-yl]methanol
CID 82196453
[5-butyl-1-(4-methoxyphenyl)triazol-4-yl]methanamine
CID 82196254
[5-butyl-1-(2,5-dimethylphenyl)triazol-4-yl]methanol
CID 82195788
methyl 3-[5-butyl-4-(hydroxymethyl)triazol-1-yl]benzoate
CID 82200548
(5-butyl-1-phenyltriazol-4-yl)methanamine
CID 82200262
[5-butyl-1-(4-tert-butylphenyl)triazol-4-yl]methanamine
CID 82198141
[1-(4-hexylphenyl)-5-iodotriazol-4-yl]methanol
CID 70928360
[1-[4-(2-methylpropoxy)phenyl]-5-propyltriazol-4-yl]methanol
CID 82199899
[3-(4-fluorophenyl)-5-propan-2-yltriazol-4-yl]methanol
CID 19914668
[5-[(4-fluorophenyl)methyl]-1-pentyltriazol-4-yl]methanol
CID 82205720
[5-ethyl-1-(4-propan-2-ylphenyl)triazol-4-yl]methanol
CID 82197597

Frequently Asked Questions

What is the IUPAC name of [5-butyl-1-(4-fluorophenyl)triazol-4-yl]methanol?
The IUPAC name of [5-butyl-1-(4-fluorophenyl)triazol-4-yl]methanol (CID 82196737) is [5-butyl-1-(4-fluorophenyl)triazol-4-yl]methanol.
What is the SMILES notation for [5-butyl-1-(4-fluorophenyl)triazol-4-yl]methanol?
The canonical SMILES for [5-butyl-1-(4-fluorophenyl)triazol-4-yl]methanol is CCCCc1c(CO)nnn1-c1ccc(F)cc1.
What is the InChIKey of [5-butyl-1-(4-fluorophenyl)triazol-4-yl]methanol?
The InChIKey is PDUNGDGBTFWNRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O/c1-2-3-4-13-12(9-18)15-16-17(13)11-7-5-10(14)6-8-11/h5-8,18H,2-4,9H2,1H3.
What are the key properties of [5-butyl-1-(4-fluorophenyl)triazol-4-yl]methanol?
[5-butyl-1-(4-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-(4-fluorophenyl)triazol-4-yl]methanol is sourced from PubChem (CID 82196737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).