[1-(4-fluorophenyl)-5-(hydroxymethyl)triazol-4-yl]methanol

C10H10FN3O2 — CID 4912831

IUPAC[1-(4-fluorophenyl)-5-(hydroxymethyl)triazol-4-yl]methanol
SMILESOCc1nnn(-c2ccc(F)cc2)c1CO
InChIInChI=1S/C10H10FN3O2/c11-7-1-3-8(4-2-7)14-10(6-16)9(5-15)12-13-14/h1-4,15-16H,5-6H2
InChIKeyBSCSIZOVBBYABS-UHFFFAOYSA-N
MW223.21 g/mol
LogP0.39
Rot. Bonds3

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

[1-(4-fluorophenyl)-5-(hydroxymethyl)triazol-4-yl]methanol (PubChem CID 4912831) has the molecular formula C10H10FN3O2 and a molecular weight of 223.21 g/mol. Its IUPAC name is [1-(4-fluorophenyl)-5-(hydroxymethyl)triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-(4-fluorophenyl)-5-(hydroxymethyl)triazol-4-yl]methanol
PubChem CID4912831
Molecular FormulaC10H10FN3O2
Molecular Weight223.21 g/mol
Exact Mass223.08
IUPAC Name[1-(4-fluorophenyl)-5-(hydroxymethyl)triazol-4-yl]methanol
SMILESOCc1nnn(-c2ccc(F)cc2)c1CO
InChIInChI=1S/C10H10FN3O2/c11-7-1-3-8(4-2-7)14-10(6-16)9(5-15)12-13-14/h1-4,15-16H,5-6H2
InChIKeyBSCSIZOVBBYABS-UHFFFAOYSA-N
XLogP0.39
TPSA71.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.21
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(4-fluorophenyl)-5-(hydroxymethyl)triazol-4-yl]methanol?
The IUPAC name of [1-(4-fluorophenyl)-5-(hydroxymethyl)triazol-4-yl]methanol (CID 4912831) is [1-(4-fluorophenyl)-5-(hydroxymethyl)triazol-4-yl]methanol.
What is the SMILES notation for [1-(4-fluorophenyl)-5-(hydroxymethyl)triazol-4-yl]methanol?
The canonical SMILES for [1-(4-fluorophenyl)-5-(hydroxymethyl)triazol-4-yl]methanol is OCc1nnn(-c2ccc(F)cc2)c1CO.
What is the InChIKey of [1-(4-fluorophenyl)-5-(hydroxymethyl)triazol-4-yl]methanol?
The InChIKey is BSCSIZOVBBYABS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3O2/c11-7-1-3-8(4-2-7)14-10(6-16)9(5-15)12-13-14/h1-4,15-16H,5-6H2.
What are the key properties of [1-(4-fluorophenyl)-5-(hydroxymethyl)triazol-4-yl]methanol?
[1-(4-fluorophenyl)-5-(hydroxymethyl)triazol-4-yl]methanol has a molecular weight of 223.21 g/mol, XLogP of 0.39, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluorophenyl)-5-(hydroxymethyl)triazol-4-yl]methanol is sourced from PubChem (CID 4912831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).