(2R,4S)-2,4,6-tribenzyl-1,3,5-triazabicyclo[3.1.0]hexane

C24H25N3 — CID 92556871

IUPAC(2R,4S)-2,4,6-tribenzyl-1,3,5-triazabicyclo[3.1.0]hexane
SMILESc1ccc(CC2N3[C@H](Cc4ccccc4)N[C@H](Cc4ccccc4)N23)cc1
InChIInChI=1S/C24H25N3/c1-4-10-19(11-5-1)16-22-25-23(17-20-12-6-2-7-13-20)27-24(26(22)27)18-21-14-8-3-9-15-21/h1-15,22-25H,16-18H2/t22-,23+,24?,26?,27?
InChIKeyFLEMRTPTNCXWLO-FBGVFJRTSA-N
MW355.49 g/mol
LogP3.83
Rot. Bonds6

About (2R,4S)-2,4,6-tribenzyl-1,3,5-triazabicyclo[3.1.0]hexane

(2R,4S)-2,4,6-tribenzyl-1,3,5-triazabicyclo[3.1.0]hexane (PubChem CID 92556871) has the molecular formula C24H25N3 and a molecular weight of 355.49 g/mol. Its IUPAC name is (2R,4S)-2,4,6-tribenzyl-1,3,5-triazabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name(2R,4S)-2,4,6-tribenzyl-1,3,5-triazabicyclo[3.1.0]hexane
PubChem CID92556871
Molecular FormulaC24H25N3
Molecular Weight355.49 g/mol
Exact Mass355.20
IUPAC Name(2R,4S)-2,4,6-tribenzyl-1,3,5-triazabicyclo[3.1.0]hexane
SMILESc1ccc(CC2N3[C@H](Cc4ccccc4)N[C@H](Cc4ccccc4)N23)cc1
InChIInChI=1S/C24H25N3/c1-4-10-19(11-5-1)16-22-25-23(17-20-12-6-2-7-13-20)27-24(26(22)27)18-21-14-8-3-9-15-21/h1-15,22-25H,16-18H2/t22-,23+,24?,26?,27?
InChIKeyFLEMRTPTNCXWLO-FBGVFJRTSA-N
XLogP3.83
TPSA18.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,4S)-2,4,6-tribenzyl-1,3,5-triazabicyclo[3.1.0]hexane?
The IUPAC name of (2R,4S)-2,4,6-tribenzyl-1,3,5-triazabicyclo[3.1.0]hexane (CID 92556871) is (2R,4S)-2,4,6-tribenzyl-1,3,5-triazabicyclo[3.1.0]hexane.
What is the SMILES notation for (2R,4S)-2,4,6-tribenzyl-1,3,5-triazabicyclo[3.1.0]hexane?
The canonical SMILES for (2R,4S)-2,4,6-tribenzyl-1,3,5-triazabicyclo[3.1.0]hexane is c1ccc(CC2N3[C@H](Cc4ccccc4)N[C@H](Cc4ccccc4)N23)cc1.
What is the InChIKey of (2R,4S)-2,4,6-tribenzyl-1,3,5-triazabicyclo[3.1.0]hexane?
The InChIKey is FLEMRTPTNCXWLO-FBGVFJRTSA-N. The full InChI is InChI=1S/C24H25N3/c1-4-10-19(11-5-1)16-22-25-23(17-20-12-6-2-7-13-20)27-24(26(22)27)18-21-14-8-3-9-15-21/h1-15,22-25H,16-18H2/t22-,23+,24?,26?,27?.
What are the key properties of (2R,4S)-2,4,6-tribenzyl-1,3,5-triazabicyclo[3.1.0]hexane?
(2R,4S)-2,4,6-tribenzyl-1,3,5-triazabicyclo[3.1.0]hexane has a molecular weight of 355.49 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-2,4,6-tribenzyl-1,3,5-triazabicyclo[3.1.0]hexane is sourced from PubChem (CID 92556871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).