[2-(2-fluoroethyl)-1,2,4-triazol-3-yl]methanol

C5H8FN3O — CID 18406845

IUPAC[2-(2-fluoroethyl)-1,2,4-triazol-3-yl]methanol
SMILESOCc1ncnn1CCF
InChIInChI=1S/C5H8FN3O/c6-1-2-9-5(3-10)7-4-8-9/h4,10H,1-3H2
InChIKeyNDJBQGXMTUAPFQ-UHFFFAOYSA-N
MW145.14 g/mol
LogP-0.26
Rot. Bonds3

About [2-(2-fluoroethyl)-1,2,4-triazol-3-yl]methanol

[2-(2-fluoroethyl)-1,2,4-triazol-3-yl]methanol (PubChem CID 18406845) has the molecular formula C5H8FN3O and a molecular weight of 145.14 g/mol. Its IUPAC name is [2-(2-fluoroethyl)-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[2-(2-fluoroethyl)-1,2,4-triazol-3-yl]methanol
PubChem CID18406845
Molecular FormulaC5H8FN3O
Molecular Weight145.14 g/mol
Exact Mass145.07
IUPAC Name[2-(2-fluoroethyl)-1,2,4-triazol-3-yl]methanol
SMILESOCc1ncnn1CCF
InChIInChI=1S/C5H8FN3O/c6-1-2-9-5(3-10)7-4-8-9/h4,10H,1-3H2
InChIKeyNDJBQGXMTUAPFQ-UHFFFAOYSA-N
XLogP-0.26
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.14
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(2-fluoroethyl)-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [2-(2-fluoroethyl)-1,2,4-triazol-3-yl]methanol (CID 18406845) is [2-(2-fluoroethyl)-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [2-(2-fluoroethyl)-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [2-(2-fluoroethyl)-1,2,4-triazol-3-yl]methanol is OCc1ncnn1CCF.
What is the InChIKey of [2-(2-fluoroethyl)-1,2,4-triazol-3-yl]methanol?
The InChIKey is NDJBQGXMTUAPFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8FN3O/c6-1-2-9-5(3-10)7-4-8-9/h4,10H,1-3H2.
What are the key properties of [2-(2-fluoroethyl)-1,2,4-triazol-3-yl]methanol?
[2-(2-fluoroethyl)-1,2,4-triazol-3-yl]methanol has a molecular weight of 145.14 g/mol, XLogP of -0.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-fluoroethyl)-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 18406845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).