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

C14H18FN3O — CID 82205367

IUPAC[1-butyl-5-[(4-fluorophenyl)methyl]triazol-4-yl]methanol
SMILESCCCCn1nnc(CO)c1Cc1ccc(F)cc1
InChIInChI=1S/C14H18FN3O/c1-2-3-8-18-14(13(10-19)16-17-18)9-11-4-6-12(15)7-5-11/h4-7,19H,2-3,8-10H2,1H3
InChIKeyWHEJQVFSHFFHMH-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.30
Rot. Bonds6

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

[1-butyl-5-[(4-fluorophenyl)methyl]triazol-4-yl]methanol (PubChem CID 82205367) has the molecular formula C14H18FN3O and a molecular weight of 263.32 g/mol. Its IUPAC name is [1-butyl-5-[(4-fluorophenyl)methyl]triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-butyl-5-[(4-fluorophenyl)methyl]triazol-4-yl]methanol
PubChem CID82205367
Molecular FormulaC14H18FN3O
Molecular Weight263.32 g/mol
Exact Mass263.14
IUPAC Name[1-butyl-5-[(4-fluorophenyl)methyl]triazol-4-yl]methanol
SMILESCCCCn1nnc(CO)c1Cc1ccc(F)cc1
InChIInChI=1S/C14H18FN3O/c1-2-3-8-18-14(13(10-19)16-17-18)9-11-4-6-12(15)7-5-11/h4-7,19H,2-3,8-10H2,1H3
InChIKeyWHEJQVFSHFFHMH-UHFFFAOYSA-N
XLogP2.30
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(1-Hydroxy-isopropyl)-1-benzyl-1,2,3-triazol-5-yl]propan-2-ol
CID 715187
1-(1-Octyltriazol-4-yl)-2-phenyl-ethanol
CID 56673743
2-(1-Benzyl-5-ethyl-triazol-4-yl)ethanol
CID 127051529
2-(3-Benzyl-5-ethyl-triazol-4-yl)ethanol
CID 127052472
[3-Benzyl-5-[4-(trifluoromethyl)phenyl]triazol-4-yl]methanol
CID 138980862
2-[4-(hydroxymethyl)-5-(2-phenylethyl)triazol-1-yl]-N-methylacetamide
CID 56766402
[5-(4-Fluorophenyl)-3-propan-2-yltriazol-4-yl]methanol
CID 19914682
[5-(4-Fluoro-phenyl)-3-trimethylsilanylmethyl-3H-[1,2,3]triazol-4-yl]-methanol
CID 67496703
(4-(2-Fluorophenyl)-1-methyl-1H-1,2,3-triazol-5-yl)methanol
CID 67498210
[5-(4-Fluoro-phenyl)-3-methyl-3H-[1,2,3]triazol-4-yl]-methanol
CID 67498408
[1-(3,5-bis-trifluoromethyl-benzyl)-5-phenyl-1H-[1,2,3]triazol-4-yl]-methanol
CID 86601208
[5-(3,4-Difluorophenyl)-3-methyltriazol-4-yl]methanol
CID 90021444

Frequently Asked Questions

What is the IUPAC name of [1-butyl-5-[(4-fluorophenyl)methyl]triazol-4-yl]methanol?
The IUPAC name of [1-butyl-5-[(4-fluorophenyl)methyl]triazol-4-yl]methanol (CID 82205367) is [1-butyl-5-[(4-fluorophenyl)methyl]triazol-4-yl]methanol.
What is the SMILES notation for [1-butyl-5-[(4-fluorophenyl)methyl]triazol-4-yl]methanol?
The canonical SMILES for [1-butyl-5-[(4-fluorophenyl)methyl]triazol-4-yl]methanol is CCCCn1nnc(CO)c1Cc1ccc(F)cc1.
What is the InChIKey of [1-butyl-5-[(4-fluorophenyl)methyl]triazol-4-yl]methanol?
The InChIKey is WHEJQVFSHFFHMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O/c1-2-3-8-18-14(13(10-19)16-17-18)9-11-4-6-12(15)7-5-11/h4-7,19H,2-3,8-10H2,1H3.
What are the key properties of [1-butyl-5-[(4-fluorophenyl)methyl]triazol-4-yl]methanol?
[1-butyl-5-[(4-fluorophenyl)methyl]triazol-4-yl]methanol has a molecular weight of 263.32 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-butyl-5-[(4-fluorophenyl)methyl]triazol-4-yl]methanol is sourced from PubChem (CID 82205367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).