[1-(4-fluorophenyl)-5-propyltriazol-4-yl]methanol

C12H14FN3O — CID 56686734

IUPAC[1-(4-fluorophenyl)-5-propyltriazol-4-yl]methanol
SMILESCCCc1c(CO)nnn1-c1ccc(F)cc1
InChIInChI=1S/C12H14FN3O/c1-2-3-12-11(8-17)14-15-16(12)10-6-4-9(13)5-7-10/h4-7,17H,2-3,8H2,1H3
InChIKeyXCGHKQOUMVFSIG-UHFFFAOYSA-N
MW235.26 g/mol
LogP1.85
Rot. Bonds4

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

[1-(4-fluorophenyl)-5-propyltriazol-4-yl]methanol (PubChem CID 56686734) has the molecular formula C12H14FN3O and a molecular weight of 235.26 g/mol. Its IUPAC name is [1-(4-fluorophenyl)-5-propyltriazol-4-yl]methanol.

Molecular Properties

Compound Name[1-(4-fluorophenyl)-5-propyltriazol-4-yl]methanol
PubChem CID56686734
Molecular FormulaC12H14FN3O
Molecular Weight235.26 g/mol
Exact Mass235.11
IUPAC Name[1-(4-fluorophenyl)-5-propyltriazol-4-yl]methanol
SMILESCCCc1c(CO)nnn1-c1ccc(F)cc1
InChIInChI=1S/C12H14FN3O/c1-2-3-12-11(8-17)14-15-16(12)10-6-4-9(13)5-7-10/h4-7,17H,2-3,8H2,1H3
InChIKeyXCGHKQOUMVFSIG-UHFFFAOYSA-N
XLogP1.85
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-(4-fluorophenyl)-5-propyltriazol-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

Frequently Asked Questions

What is the IUPAC name of [1-(4-fluorophenyl)-5-propyltriazol-4-yl]methanol?
The IUPAC name of [1-(4-fluorophenyl)-5-propyltriazol-4-yl]methanol (CID 56686734) is [1-(4-fluorophenyl)-5-propyltriazol-4-yl]methanol.
What is the SMILES notation for [1-(4-fluorophenyl)-5-propyltriazol-4-yl]methanol?
The canonical SMILES for [1-(4-fluorophenyl)-5-propyltriazol-4-yl]methanol is CCCc1c(CO)nnn1-c1ccc(F)cc1.
What is the InChIKey of [1-(4-fluorophenyl)-5-propyltriazol-4-yl]methanol?
The InChIKey is XCGHKQOUMVFSIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O/c1-2-3-12-11(8-17)14-15-16(12)10-6-4-9(13)5-7-10/h4-7,17H,2-3,8H2,1H3.
What are the key properties of [1-(4-fluorophenyl)-5-propyltriazol-4-yl]methanol?
[1-(4-fluorophenyl)-5-propyltriazol-4-yl]methanol has a molecular weight of 235.26 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluorophenyl)-5-propyltriazol-4-yl]methanol is sourced from PubChem (CID 56686734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).