1-fluoro-2-hydroxy-3-(3-pyrrolidin-1-ylphenyl)triazole

C12H15FN4O — CID 175194817

IUPAC1-fluoro-2-hydroxy-3-(3-pyrrolidin-1-ylphenyl)triazole
SMILESON1N(F)C=CN1c1cccc(N2CCCC2)c1
InChIInChI=1S/C12H15FN4O/c13-16-9-8-15(17(16)18)12-5-3-4-11(10-12)14-6-1-2-7-14/h3-5,8-10,18H,1-2,6-7H2
InChIKeyZMXGARZKOYHJSH-UHFFFAOYSA-N
MW250.28 g/mol
LogP2.29
Rot. Bonds2

About 1-fluoro-2-hydroxy-3-(3-pyrrolidin-1-ylphenyl)triazole

1-fluoro-2-hydroxy-3-(3-pyrrolidin-1-ylphenyl)triazole (PubChem CID 175194817) has the molecular formula C12H15FN4O and a molecular weight of 250.28 g/mol. Its IUPAC name is 1-fluoro-2-hydroxy-3-(3-pyrrolidin-1-ylphenyl)triazole.

Molecular Properties

Compound Name1-fluoro-2-hydroxy-3-(3-pyrrolidin-1-ylphenyl)triazole
PubChem CID175194817
Molecular FormulaC12H15FN4O
Molecular Weight250.28 g/mol
Exact Mass250.12
IUPAC Name1-fluoro-2-hydroxy-3-(3-pyrrolidin-1-ylphenyl)triazole
SMILESON1N(F)C=CN1c1cccc(N2CCCC2)c1
InChIInChI=1S/C12H15FN4O/c13-16-9-8-15(17(16)18)12-5-3-4-11(10-12)14-6-1-2-7-14/h3-5,8-10,18H,1-2,6-7H2
InChIKeyZMXGARZKOYHJSH-UHFFFAOYSA-N
XLogP2.29
TPSA33.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3-pyrrolidin-1-ylphenyl)methanol
CID 7162062
1-[3-(trifluoromethyl)phenyl]piperidine;hydrobromide
CID 171925021
1-(3-bromophenyl)pyrrolidine
CID 7016459
3-piperidin-1-ylbenzenethiol
CID 13029856
1-(3-chlorophenyl)azonane
CID 145391535
2-phenyl-5-pyrrolidin-1-ylphenol
CID 91608204
1-[3-(4-chlorophenyl)phenyl]pyrrolidine
CID 168512665
3-fluoro-2-hydroxy-5-[4-oxo-3-(3-pyrrolidin-1-ylphenyl)-2-sulfanylidene-1,3-oxazolidin-5-yl]benzaldehyde
CID 163230167
1-[3-(trifluoromethylsulfonyl)phenyl]piperidine
CID 67355802
3,5-di(piperidin-1-yl)phenol
CID 16638574
3-piperidin-1-ylbenzenecarbothioamide
CID 39244570
1-(3-fluoro-4-phenylphenyl)piperidine
CID 126496888

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-hydroxy-3-(3-pyrrolidin-1-ylphenyl)triazole?
The IUPAC name of 1-fluoro-2-hydroxy-3-(3-pyrrolidin-1-ylphenyl)triazole (CID 175194817) is 1-fluoro-2-hydroxy-3-(3-pyrrolidin-1-ylphenyl)triazole.
What is the SMILES notation for 1-fluoro-2-hydroxy-3-(3-pyrrolidin-1-ylphenyl)triazole?
The canonical SMILES for 1-fluoro-2-hydroxy-3-(3-pyrrolidin-1-ylphenyl)triazole is ON1N(F)C=CN1c1cccc(N2CCCC2)c1.
What is the InChIKey of 1-fluoro-2-hydroxy-3-(3-pyrrolidin-1-ylphenyl)triazole?
The InChIKey is ZMXGARZKOYHJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN4O/c13-16-9-8-15(17(16)18)12-5-3-4-11(10-12)14-6-1-2-7-14/h3-5,8-10,18H,1-2,6-7H2.
What are the key properties of 1-fluoro-2-hydroxy-3-(3-pyrrolidin-1-ylphenyl)triazole?
1-fluoro-2-hydroxy-3-(3-pyrrolidin-1-ylphenyl)triazole has a molecular weight of 250.28 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-hydroxy-3-(3-pyrrolidin-1-ylphenyl)triazole is sourced from PubChem (CID 175194817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).