[5-[(4-fluorophenyl)methyl]-1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]methanol

C16H21FN4O — CID 82211092

IUPAC[5-[(4-fluorophenyl)methyl]-1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]methanol
SMILESOCc1nnn(CCN2CCCC2)c1Cc1ccc(F)cc1
InChIInChI=1S/C16H21FN4O/c17-14-5-3-13(4-6-14)11-16-15(12-22)18-19-21(16)10-9-20-7-1-2-8-20/h3-6,22H,1-2,7-12H2
InChIKeySXGVGRWTHYBADP-UHFFFAOYSA-N
MW304.37 g/mol
LogP1.60
Rot. Bonds6

About [5-[(4-fluorophenyl)methyl]-1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]methanol

[5-[(4-fluorophenyl)methyl]-1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]methanol (PubChem CID 82211092) has the molecular formula C16H21FN4O and a molecular weight of 304.37 g/mol. Its IUPAC name is [5-[(4-fluorophenyl)methyl]-1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]methanol.

Molecular Properties

Compound Name[5-[(4-fluorophenyl)methyl]-1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]methanol
PubChem CID82211092
Molecular FormulaC16H21FN4O
Molecular Weight304.37 g/mol
Exact Mass304.17
IUPAC Name[5-[(4-fluorophenyl)methyl]-1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]methanol
SMILESOCc1nnn(CCN2CCCC2)c1Cc1ccc(F)cc1
InChIInChI=1S/C16H21FN4O/c17-14-5-3-13(4-6-14)11-16-15(12-22)18-19-21(16)10-9-20-7-1-2-8-20/h3-6,22H,1-2,7-12H2
InChIKeySXGVGRWTHYBADP-UHFFFAOYSA-N
XLogP1.60
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-[(4-fluorophenyl)methyl]-1-propyltriazol-4-yl]methanol
CID 82204986
[5-[(4-fluorophenyl)methyl]-1-pentyltriazol-4-yl]methanol
CID 82205720
2-[5-[(4-fluorophenyl)methyl]-4-(hydroxymethyl)triazol-1-yl]-N-methylacetamide
CID 82211268
[5-(2-methylpropyl)-1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]methanol
CID 82211038
5-[(4-methoxyphenyl)methyl]-1-(2-pyrrolidin-1-ylethyl)triazole-4-carbaldehyde
CID 94946173
[5-benzyl-1-(3-phenylpropyl)triazol-4-yl]methanol
CID 94944856
(5-benzyl-1-butyltriazol-4-yl)methanol
CID 82205364
[5-[(4-methoxyphenyl)methyl]-1-(3-methylbutyl)triazol-4-yl]methanol
CID 82208301
1-butyl-5-[(4-fluorophenyl)methyl]triazole-4-carboxylic acid
CID 82205240
[1-[(4-fluorophenyl)methyl]-5-(oxolan-2-yl)triazol-4-yl]methanol
CID 82203508
5-(2-phenylethyl)-1-(2-pyrrolidin-1-ylethyl)triazole-4-carboxylic acid
CID 94946159
1-[(4-fluorophenyl)methyl]pyrrolidine
CID 10631195

Frequently Asked Questions

What is the IUPAC name of [5-[(4-fluorophenyl)methyl]-1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]methanol?
The IUPAC name of [5-[(4-fluorophenyl)methyl]-1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]methanol (CID 82211092) is [5-[(4-fluorophenyl)methyl]-1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]methanol.
What is the SMILES notation for [5-[(4-fluorophenyl)methyl]-1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]methanol?
The canonical SMILES for [5-[(4-fluorophenyl)methyl]-1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]methanol is OCc1nnn(CCN2CCCC2)c1Cc1ccc(F)cc1.
What is the InChIKey of [5-[(4-fluorophenyl)methyl]-1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]methanol?
The InChIKey is SXGVGRWTHYBADP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4O/c17-14-5-3-13(4-6-14)11-16-15(12-22)18-19-21(16)10-9-20-7-1-2-8-20/h3-6,22H,1-2,7-12H2.
What are the key properties of [5-[(4-fluorophenyl)methyl]-1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]methanol?
[5-[(4-fluorophenyl)methyl]-1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]methanol has a molecular weight of 304.37 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(4-fluorophenyl)methyl]-1-(2-pyrrolidin-1-ylethyl)triazol-4-yl]methanol is sourced from PubChem (CID 82211092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).