[1-(5-fluoro-3-pyridinyl)triazol-4-yl]methanol

C8H7FN4O — CID 130496978

IUPAC[1-(5-fluoro-3-pyridinyl)triazol-4-yl]methanol
SMILESOCc1cn(-c2cncc(F)c2)nn1
InChIInChI=1S/C8H7FN4O/c9-6-1-8(3-10-2-6)13-4-7(5-14)11-12-13/h1-4,14H,5H2
InChIKeyRBSBYDQDXHEKHK-UHFFFAOYSA-N
MW194.17 g/mol
LogP0.29
Rot. Bonds2

About [1-(5-fluoro-3-pyridinyl)triazol-4-yl]methanol

[1-(5-fluoro-3-pyridinyl)triazol-4-yl]methanol (PubChem CID 130496978) has the molecular formula C8H7FN4O and a molecular weight of 194.17 g/mol. Its IUPAC name is [1-(5-fluoro-3-pyridinyl)triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-(5-fluoro-3-pyridinyl)triazol-4-yl]methanol
PubChem CID130496978
Molecular FormulaC8H7FN4O
Molecular Weight194.17 g/mol
Exact Mass194.06
IUPAC Name[1-(5-fluoro-3-pyridinyl)triazol-4-yl]methanol
SMILESOCc1cn(-c2cncc(F)c2)nn1
InChIInChI=1S/C8H7FN4O/c9-6-1-8(3-10-2-6)13-4-7(5-14)11-12-13/h1-4,14H,5H2
InChIKeyRBSBYDQDXHEKHK-UHFFFAOYSA-N
XLogP0.29
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.17
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(5-fluoro-3-pyridinyl)triazol-4-yl]methanol?
The IUPAC name of [1-(5-fluoro-3-pyridinyl)triazol-4-yl]methanol (CID 130496978) is [1-(5-fluoro-3-pyridinyl)triazol-4-yl]methanol.
What is the SMILES notation for [1-(5-fluoro-3-pyridinyl)triazol-4-yl]methanol?
The canonical SMILES for [1-(5-fluoro-3-pyridinyl)triazol-4-yl]methanol is OCc1cn(-c2cncc(F)c2)nn1.
What is the InChIKey of [1-(5-fluoro-3-pyridinyl)triazol-4-yl]methanol?
The InChIKey is RBSBYDQDXHEKHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FN4O/c9-6-1-8(3-10-2-6)13-4-7(5-14)11-12-13/h1-4,14H,5H2.
What are the key properties of [1-(5-fluoro-3-pyridinyl)triazol-4-yl]methanol?
[1-(5-fluoro-3-pyridinyl)triazol-4-yl]methanol has a molecular weight of 194.17 g/mol, XLogP of 0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-fluoro-3-pyridinyl)triazol-4-yl]methanol is sourced from PubChem (CID 130496978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).