3-(2-fluoropropan-2-yl)-1-hydroxy-1,2,4-triazole

C5H8FN3O — CID 141163555

IUPAC3-(2-fluoropropan-2-yl)-1-hydroxy-1,2,4-triazole
SMILESCC(C)(F)c1ncn(O)n1
InChIInChI=1S/C5H8FN3O/c1-5(2,6)4-7-3-9(10)8-4/h3,10H,1-2H3
InChIKeyQDASDEOVPCLHMC-UHFFFAOYSA-N
MW145.14 g/mol
LogP0.72
Rot. Bonds1

About 3-(2-fluoropropan-2-yl)-1-hydroxy-1,2,4-triazole

3-(2-fluoropropan-2-yl)-1-hydroxy-1,2,4-triazole (PubChem CID 141163555) has the molecular formula C5H8FN3O and a molecular weight of 145.14 g/mol. Its IUPAC name is 3-(2-fluoropropan-2-yl)-1-hydroxy-1,2,4-triazole.

Molecular Properties

Compound Name3-(2-fluoropropan-2-yl)-1-hydroxy-1,2,4-triazole
PubChem CID141163555
Molecular FormulaC5H8FN3O
Molecular Weight145.14 g/mol
Exact Mass145.07
IUPAC Name3-(2-fluoropropan-2-yl)-1-hydroxy-1,2,4-triazole
SMILESCC(C)(F)c1ncn(O)n1
InChIInChI=1S/C5H8FN3O/c1-5(2,6)4-7-3-9(10)8-4/h3,10H,1-2H3
InChIKeyQDASDEOVPCLHMC-UHFFFAOYSA-N
XLogP0.72
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.14
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoropropan-2-yl)-1-hydroxy-1,2,4-triazole?
The IUPAC name of 3-(2-fluoropropan-2-yl)-1-hydroxy-1,2,4-triazole (CID 141163555) is 3-(2-fluoropropan-2-yl)-1-hydroxy-1,2,4-triazole.
What is the SMILES notation for 3-(2-fluoropropan-2-yl)-1-hydroxy-1,2,4-triazole?
The canonical SMILES for 3-(2-fluoropropan-2-yl)-1-hydroxy-1,2,4-triazole is CC(C)(F)c1ncn(O)n1.
What is the InChIKey of 3-(2-fluoropropan-2-yl)-1-hydroxy-1,2,4-triazole?
The InChIKey is QDASDEOVPCLHMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8FN3O/c1-5(2,6)4-7-3-9(10)8-4/h3,10H,1-2H3.
What are the key properties of 3-(2-fluoropropan-2-yl)-1-hydroxy-1,2,4-triazole?
3-(2-fluoropropan-2-yl)-1-hydroxy-1,2,4-triazole has a molecular weight of 145.14 g/mol, XLogP of 0.72, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoropropan-2-yl)-1-hydroxy-1,2,4-triazole is sourced from PubChem (CID 141163555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).