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

C13H16FN3O — CID 82204986

IUPAC[5-[(4-fluorophenyl)methyl]-1-propyltriazol-4-yl]methanol
SMILESCCCn1nnc(CO)c1Cc1ccc(F)cc1
InChIInChI=1S/C13H16FN3O/c1-2-7-17-13(12(9-18)15-16-17)8-10-3-5-11(14)6-4-10/h3-6,18H,2,7-9H2,1H3
InChIKeyRYEKCYABDYLEMG-UHFFFAOYSA-N
MW249.29 g/mol
LogP1.91
Rot. Bonds5

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

[5-[(4-fluorophenyl)methyl]-1-propyltriazol-4-yl]methanol (PubChem CID 82204986) has the molecular formula C13H16FN3O and a molecular weight of 249.29 g/mol. Its IUPAC name is [5-[(4-fluorophenyl)methyl]-1-propyltriazol-4-yl]methanol.

Molecular Properties

Compound Name[5-[(4-fluorophenyl)methyl]-1-propyltriazol-4-yl]methanol
PubChem CID82204986
Molecular FormulaC13H16FN3O
Molecular Weight249.29 g/mol
Exact Mass249.13
IUPAC Name[5-[(4-fluorophenyl)methyl]-1-propyltriazol-4-yl]methanol
SMILESCCCn1nnc(CO)c1Cc1ccc(F)cc1
InChIInChI=1S/C13H16FN3O/c1-2-7-17-13(12(9-18)15-16-17)8-10-3-5-11(14)6-4-10/h3-6,18H,2,7-9H2,1H3
InChIKeyRYEKCYABDYLEMG-UHFFFAOYSA-N
XLogP1.91
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 ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-[(4-fluorophenyl)methyl]-1-propyltriazol-4-yl]methanol?
The IUPAC name of [5-[(4-fluorophenyl)methyl]-1-propyltriazol-4-yl]methanol (CID 82204986) is [5-[(4-fluorophenyl)methyl]-1-propyltriazol-4-yl]methanol.
What is the SMILES notation for [5-[(4-fluorophenyl)methyl]-1-propyltriazol-4-yl]methanol?
The canonical SMILES for [5-[(4-fluorophenyl)methyl]-1-propyltriazol-4-yl]methanol is CCCn1nnc(CO)c1Cc1ccc(F)cc1.
What is the InChIKey of [5-[(4-fluorophenyl)methyl]-1-propyltriazol-4-yl]methanol?
The InChIKey is RYEKCYABDYLEMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O/c1-2-7-17-13(12(9-18)15-16-17)8-10-3-5-11(14)6-4-10/h3-6,18H,2,7-9H2,1H3.
What are the key properties of [5-[(4-fluorophenyl)methyl]-1-propyltriazol-4-yl]methanol?
[5-[(4-fluorophenyl)methyl]-1-propyltriazol-4-yl]methanol has a molecular weight of 249.29 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(4-fluorophenyl)methyl]-1-propyltriazol-4-yl]methanol is sourced from PubChem (CID 82204986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).