4-(9-ethoxyfluoren-9-yl)-1-[[(2S)-pyrrolidin-2-yl]methyl]triazole

C22H24N4O — CID 11994219

IUPAC4-(9-ethoxyfluoren-9-yl)-1-[[(2S)-pyrrolidin-2-yl]methyl]triazole
SMILESCCOC1(c2cn(C[C@@H]3CCCN3)nn2)c2ccccc2-c2ccccc21
InChIInChI=1S/C22H24N4O/c1-2-27-22(21-15-26(25-24-21)14-16-8-7-13-23-16)19-11-5-3-9-17(19)18-10-4-6-12-20(18)22/h3-6,9-12,15-16,23H,2,7-8,13-14H2,1H3/t16-/m0/s1
InChIKeyFFMIXUPXHKAQGF-INIZCTEOSA-N
MW360.46 g/mol
LogP3.34
Rot. Bonds5

About 4-(9-ethoxyfluoren-9-yl)-1-[[(2S)-pyrrolidin-2-yl]methyl]triazole

4-(9-ethoxyfluoren-9-yl)-1-[[(2S)-pyrrolidin-2-yl]methyl]triazole (PubChem CID 11994219) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 4-(9-ethoxyfluoren-9-yl)-1-[[(2S)-pyrrolidin-2-yl]methyl]triazole.

Molecular Properties

Compound Name4-(9-ethoxyfluoren-9-yl)-1-[[(2S)-pyrrolidin-2-yl]methyl]triazole
PubChem CID11994219
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name4-(9-ethoxyfluoren-9-yl)-1-[[(2S)-pyrrolidin-2-yl]methyl]triazole
SMILESCCOC1(c2cn(C[C@@H]3CCCN3)nn2)c2ccccc2-c2ccccc21
InChIInChI=1S/C22H24N4O/c1-2-27-22(21-15-26(25-24-21)14-16-8-7-13-23-16)19-11-5-3-9-17(19)18-10-4-6-12-20(18)22/h3-6,9-12,15-16,23H,2,7-8,13-14H2,1H3/t16-/m0/s1
InChIKeyFFMIXUPXHKAQGF-INIZCTEOSA-N
XLogP3.34
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(9-ethoxyfluoren-9-yl)-1-[[(2S)-pyrrolidin-2-yl]methyl]triazole?
The IUPAC name of 4-(9-ethoxyfluoren-9-yl)-1-[[(2S)-pyrrolidin-2-yl]methyl]triazole (CID 11994219) is 4-(9-ethoxyfluoren-9-yl)-1-[[(2S)-pyrrolidin-2-yl]methyl]triazole.
What is the SMILES notation for 4-(9-ethoxyfluoren-9-yl)-1-[[(2S)-pyrrolidin-2-yl]methyl]triazole?
The canonical SMILES for 4-(9-ethoxyfluoren-9-yl)-1-[[(2S)-pyrrolidin-2-yl]methyl]triazole is CCOC1(c2cn(C[C@@H]3CCCN3)nn2)c2ccccc2-c2ccccc21.
What is the InChIKey of 4-(9-ethoxyfluoren-9-yl)-1-[[(2S)-pyrrolidin-2-yl]methyl]triazole?
The InChIKey is FFMIXUPXHKAQGF-INIZCTEOSA-N. The full InChI is InChI=1S/C22H24N4O/c1-2-27-22(21-15-26(25-24-21)14-16-8-7-13-23-16)19-11-5-3-9-17(19)18-10-4-6-12-20(18)22/h3-6,9-12,15-16,23H,2,7-8,13-14H2,1H3/t16-/m0/s1.
What are the key properties of 4-(9-ethoxyfluoren-9-yl)-1-[[(2S)-pyrrolidin-2-yl]methyl]triazole?
4-(9-ethoxyfluoren-9-yl)-1-[[(2S)-pyrrolidin-2-yl]methyl]triazole has a molecular weight of 360.46 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9-ethoxyfluoren-9-yl)-1-[[(2S)-pyrrolidin-2-yl]methyl]triazole is sourced from PubChem (CID 11994219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).