[3-(4-fluoro-3-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methanol

C10H10FN3O2 — CID 107923245

IUPAC[3-(4-fluoro-3-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methanol
SMILESCOc1cc(-c2n[nH]c(CO)n2)ccc1F
InChIInChI=1S/C10H10FN3O2/c1-16-8-4-6(2-3-7(8)11)10-12-9(5-15)13-14-10/h2-4,15H,5H2,1H3,(H,12,13,14)
InChIKeyQQCTUMICCZKBDY-UHFFFAOYSA-N
MW223.21 g/mol
LogP1.11
Rot. Bonds3

About [3-(4-fluoro-3-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methanol

[3-(4-fluoro-3-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methanol (PubChem CID 107923245) has the molecular formula C10H10FN3O2 and a molecular weight of 223.21 g/mol. Its IUPAC name is [3-(4-fluoro-3-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methanol.

Molecular Properties

Compound Name[3-(4-fluoro-3-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methanol
PubChem CID107923245
Molecular FormulaC10H10FN3O2
Molecular Weight223.21 g/mol
Exact Mass223.08
IUPAC Name[3-(4-fluoro-3-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methanol
SMILESCOc1cc(-c2n[nH]c(CO)n2)ccc1F
InChIInChI=1S/C10H10FN3O2/c1-16-8-4-6(2-3-7(8)11)10-12-9(5-15)13-14-10/h2-4,15H,5H2,1H3,(H,12,13,14)
InChIKeyQQCTUMICCZKBDY-UHFFFAOYSA-N
XLogP1.11
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.21
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(4-fluoro-3-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methanol?
The IUPAC name of [3-(4-fluoro-3-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methanol (CID 107923245) is [3-(4-fluoro-3-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methanol.
What is the SMILES notation for [3-(4-fluoro-3-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methanol?
The canonical SMILES for [3-(4-fluoro-3-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methanol is COc1cc(-c2n[nH]c(CO)n2)ccc1F.
What is the InChIKey of [3-(4-fluoro-3-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methanol?
The InChIKey is QQCTUMICCZKBDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3O2/c1-16-8-4-6(2-3-7(8)11)10-12-9(5-15)13-14-10/h2-4,15H,5H2,1H3,(H,12,13,14).
What are the key properties of [3-(4-fluoro-3-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methanol?
[3-(4-fluoro-3-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methanol has a molecular weight of 223.21 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluoro-3-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methanol is sourced from PubChem (CID 107923245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).