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

C17H16FN3O — CID 68881843

IUPAC[5-(4-fluorophenyl)-4-(2-phenylethyl)-1,2,4-triazol-3-yl]methanol
SMILESOCc1nnc(-c2ccc(F)cc2)n1CCc1ccccc1
InChIInChI=1S/C17H16FN3O/c18-15-8-6-14(7-9-15)17-20-19-16(12-22)21(17)11-10-13-4-2-1-3-5-13/h1-9,22H,10-12H2
InChIKeyVAULRIJAECRQPB-UHFFFAOYSA-N
MW297.33 g/mol
LogP2.82
Rot. Bonds5

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

[5-(4-fluorophenyl)-4-(2-phenylethyl)-1,2,4-triazol-3-yl]methanol (PubChem CID 68881843) has the molecular formula C17H16FN3O and a molecular weight of 297.33 g/mol. Its IUPAC name is [5-(4-fluorophenyl)-4-(2-phenylethyl)-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[5-(4-fluorophenyl)-4-(2-phenylethyl)-1,2,4-triazol-3-yl]methanol
PubChem CID68881843
Molecular FormulaC17H16FN3O
Molecular Weight297.33 g/mol
Exact Mass297.13
IUPAC Name[5-(4-fluorophenyl)-4-(2-phenylethyl)-1,2,4-triazol-3-yl]methanol
SMILESOCc1nnc(-c2ccc(F)cc2)n1CCc1ccccc1
InChIInChI=1S/C17H16FN3O/c18-15-8-6-14(7-9-15)17-20-19-16(12-22)21(17)11-10-13-4-2-1-3-5-13/h1-9,22H,10-12H2
InChIKeyVAULRIJAECRQPB-UHFFFAOYSA-N
XLogP2.82
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(4-fluorophenyl)-4-(2-phenylethyl)-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [5-(4-fluorophenyl)-4-(2-phenylethyl)-1,2,4-triazol-3-yl]methanol (CID 68881843) is [5-(4-fluorophenyl)-4-(2-phenylethyl)-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [5-(4-fluorophenyl)-4-(2-phenylethyl)-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [5-(4-fluorophenyl)-4-(2-phenylethyl)-1,2,4-triazol-3-yl]methanol is OCc1nnc(-c2ccc(F)cc2)n1CCc1ccccc1.
What is the InChIKey of [5-(4-fluorophenyl)-4-(2-phenylethyl)-1,2,4-triazol-3-yl]methanol?
The InChIKey is VAULRIJAECRQPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O/c18-15-8-6-14(7-9-15)17-20-19-16(12-22)21(17)11-10-13-4-2-1-3-5-13/h1-9,22H,10-12H2.
What are the key properties of [5-(4-fluorophenyl)-4-(2-phenylethyl)-1,2,4-triazol-3-yl]methanol?
[5-(4-fluorophenyl)-4-(2-phenylethyl)-1,2,4-triazol-3-yl]methanol has a molecular weight of 297.33 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-fluorophenyl)-4-(2-phenylethyl)-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 68881843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).