[1-(3-fluorophenyl)-5-(oxolan-2-yl)triazol-4-yl]methanol

C13H14FN3O2 — CID 82197026

IUPAC[1-(3-fluorophenyl)-5-(oxolan-2-yl)triazol-4-yl]methanol
SMILESOCc1nnn(-c2cccc(F)c2)c1C1CCCO1
InChIInChI=1S/C13H14FN3O2/c14-9-3-1-4-10(7-9)17-13(11(8-18)15-16-17)12-5-2-6-19-12/h1,3-4,7,12,18H,2,5-6,8H2
InChIKeyOJQYXNBQWKKYJV-UHFFFAOYSA-N
MW263.27 g/mol
LogP1.75
Rot. Bonds3

About [1-(3-fluorophenyl)-5-(oxolan-2-yl)triazol-4-yl]methanol

[1-(3-fluorophenyl)-5-(oxolan-2-yl)triazol-4-yl]methanol (PubChem CID 82197026) has the molecular formula C13H14FN3O2 and a molecular weight of 263.27 g/mol. Its IUPAC name is [1-(3-fluorophenyl)-5-(oxolan-2-yl)triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-(3-fluorophenyl)-5-(oxolan-2-yl)triazol-4-yl]methanol
PubChem CID82197026
Molecular FormulaC13H14FN3O2
Molecular Weight263.27 g/mol
Exact Mass263.11
IUPAC Name[1-(3-fluorophenyl)-5-(oxolan-2-yl)triazol-4-yl]methanol
SMILESOCc1nnn(-c2cccc(F)c2)c1C1CCCO1
InChIInChI=1S/C13H14FN3O2/c14-9-3-1-4-10(7-9)17-13(11(8-18)15-16-17)12-5-2-6-19-12/h1,3-4,7,12,18H,2,5-6,8H2
InChIKeyOJQYXNBQWKKYJV-UHFFFAOYSA-N
XLogP1.75
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [1-(3-fluorophenyl)-5-(oxolan-2-yl)triazol-4-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(3-methylphenyl)-5-(oxolan-2-yl)triazol-4-yl]methanol
CID 82197956
[1-(3-chlorophenyl)-5-(oxolan-2-yl)triazol-4-yl]methanol
CID 82200344
methyl 3-[4-(hydroxymethyl)-5-(oxolan-2-yl)triazol-1-yl]benzoate
CID 82200566
[1-(3-methoxyphenyl)-5-(oxolan-2-yl)triazol-4-yl]methanamine
CID 82197241
1-(3-fluorophenyl)-5-(oxolan-2-yl)pyrazole-4-carboxylic acid
CID 82361451
[1-[(4-fluorophenyl)methyl]-5-(oxolan-2-yl)triazol-4-yl]methanol
CID 82203508
[1-(3-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]methanol
CID 56686728
[5-(oxolan-2-yl)-1-(1,3-thiazol-2-yl)triazol-4-yl]methanol
CID 82220800
1-(3-methylphenyl)-5-(oxolan-2-yl)triazole-4-carboxylic acid
CID 82201222
[1-(3-fluorophenyl)-5-(phenoxymethyl)triazol-4-yl]methanol
CID 82197074
[5-(2-chlorophenyl)-1-(3-fluorophenyl)triazol-4-yl]methanol
CID 82197077
3-(3-fluorophenyl)-4,5,6,7-tetrahydrobenzotriazol-4-amine
CID 115058150

Frequently Asked Questions

What is the IUPAC name of [1-(3-fluorophenyl)-5-(oxolan-2-yl)triazol-4-yl]methanol?
The IUPAC name of [1-(3-fluorophenyl)-5-(oxolan-2-yl)triazol-4-yl]methanol (CID 82197026) is [1-(3-fluorophenyl)-5-(oxolan-2-yl)triazol-4-yl]methanol.
What is the SMILES notation for [1-(3-fluorophenyl)-5-(oxolan-2-yl)triazol-4-yl]methanol?
The canonical SMILES for [1-(3-fluorophenyl)-5-(oxolan-2-yl)triazol-4-yl]methanol is OCc1nnn(-c2cccc(F)c2)c1C1CCCO1.
What is the InChIKey of [1-(3-fluorophenyl)-5-(oxolan-2-yl)triazol-4-yl]methanol?
The InChIKey is OJQYXNBQWKKYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O2/c14-9-3-1-4-10(7-9)17-13(11(8-18)15-16-17)12-5-2-6-19-12/h1,3-4,7,12,18H,2,5-6,8H2.
What are the key properties of [1-(3-fluorophenyl)-5-(oxolan-2-yl)triazol-4-yl]methanol?
[1-(3-fluorophenyl)-5-(oxolan-2-yl)triazol-4-yl]methanol has a molecular weight of 263.27 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-fluorophenyl)-5-(oxolan-2-yl)triazol-4-yl]methanol is sourced from PubChem (CID 82197026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).