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

C15H12FN3O — CID 56769427

IUPAC[5-(4-fluorophenyl)-1-phenyltriazol-4-yl]methanol
SMILESOCc1nnn(-c2ccccc2)c1-c1ccc(F)cc1
InChIInChI=1S/C15H12FN3O/c16-12-8-6-11(7-9-12)15-14(10-20)17-18-19(15)13-4-2-1-3-5-13/h1-9,20H,10H2
InChIKeyASMGUFKJVBGRRN-UHFFFAOYSA-N
MW269.28 g/mol
LogP2.57
Rot. Bonds3

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

[5-(4-fluorophenyl)-1-phenyltriazol-4-yl]methanol (PubChem CID 56769427) has the molecular formula C15H12FN3O and a molecular weight of 269.28 g/mol. Its IUPAC name is [5-(4-fluorophenyl)-1-phenyltriazol-4-yl]methanol.

Molecular Properties

Compound Name[5-(4-fluorophenyl)-1-phenyltriazol-4-yl]methanol
PubChem CID56769427
Molecular FormulaC15H12FN3O
Molecular Weight269.28 g/mol
Exact Mass269.10
IUPAC Name[5-(4-fluorophenyl)-1-phenyltriazol-4-yl]methanol
SMILESOCc1nnn(-c2ccccc2)c1-c1ccc(F)cc1
InChIInChI=1S/C15H12FN3O/c16-12-8-6-11(7-9-12)15-14(10-20)17-18-19(15)13-4-2-1-3-5-13/h1-9,20H,10H2
InChIKeyASMGUFKJVBGRRN-UHFFFAOYSA-N
XLogP2.57
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(4-fluorophenyl)-1-phenyltriazol-4-yl]methanol?
The IUPAC name of [5-(4-fluorophenyl)-1-phenyltriazol-4-yl]methanol (CID 56769427) is [5-(4-fluorophenyl)-1-phenyltriazol-4-yl]methanol.
What is the SMILES notation for [5-(4-fluorophenyl)-1-phenyltriazol-4-yl]methanol?
The canonical SMILES for [5-(4-fluorophenyl)-1-phenyltriazol-4-yl]methanol is OCc1nnn(-c2ccccc2)c1-c1ccc(F)cc1.
What is the InChIKey of [5-(4-fluorophenyl)-1-phenyltriazol-4-yl]methanol?
The InChIKey is ASMGUFKJVBGRRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O/c16-12-8-6-11(7-9-12)15-14(10-20)17-18-19(15)13-4-2-1-3-5-13/h1-9,20H,10H2.
What are the key properties of [5-(4-fluorophenyl)-1-phenyltriazol-4-yl]methanol?
[5-(4-fluorophenyl)-1-phenyltriazol-4-yl]methanol has a molecular weight of 269.28 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-fluorophenyl)-1-phenyltriazol-4-yl]methanol is sourced from PubChem (CID 56769427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).