[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methanol

C10H10FN3O — CID 19914681

IUPAC[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methanol
SMILESCc1nnn(-c2ccc(F)cc2)c1CO
InChIInChI=1S/C10H10FN3O/c1-7-10(6-15)14(13-12-7)9-4-2-8(11)3-5-9/h2-5,15H,6H2,1H3
InChIKeyPAPVCDWYFVTHQZ-UHFFFAOYSA-N
MW207.21 g/mol
LogP1.21
Rot. Bonds2

About [3-(4-fluorophenyl)-5-methyltriazol-4-yl]methanol

[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methanol (PubChem CID 19914681) has the molecular formula C10H10FN3O and a molecular weight of 207.21 g/mol. Its IUPAC name is [3-(4-fluorophenyl)-5-methyltriazol-4-yl]methanol.

Molecular Properties

Compound Name[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methanol
PubChem CID19914681
Molecular FormulaC10H10FN3O
Molecular Weight207.21 g/mol
Exact Mass207.08
IUPAC Name[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methanol
SMILESCc1nnn(-c2ccc(F)cc2)c1CO
InChIInChI=1S/C10H10FN3O/c1-7-10(6-15)14(13-12-7)9-4-2-8(11)3-5-9/h2-5,15H,6H2,1H3
InChIKeyPAPVCDWYFVTHQZ-UHFFFAOYSA-N
XLogP1.21
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.21
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(4-fluorophenyl)-5-methyltriazol-4-yl]methanol?
The IUPAC name of [3-(4-fluorophenyl)-5-methyltriazol-4-yl]methanol (CID 19914681) is [3-(4-fluorophenyl)-5-methyltriazol-4-yl]methanol.
What is the SMILES notation for [3-(4-fluorophenyl)-5-methyltriazol-4-yl]methanol?
The canonical SMILES for [3-(4-fluorophenyl)-5-methyltriazol-4-yl]methanol is Cc1nnn(-c2ccc(F)cc2)c1CO.
What is the InChIKey of [3-(4-fluorophenyl)-5-methyltriazol-4-yl]methanol?
The InChIKey is PAPVCDWYFVTHQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3O/c1-7-10(6-15)14(13-12-7)9-4-2-8(11)3-5-9/h2-5,15H,6H2,1H3.
What are the key properties of [3-(4-fluorophenyl)-5-methyltriazol-4-yl]methanol?
[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methanol has a molecular weight of 207.21 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluorophenyl)-5-methyltriazol-4-yl]methanol is sourced from PubChem (CID 19914681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).