11-benzyl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5-triene

C17H19N3 — CID 67154993

IUPAC11-benzyl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5-triene
SMILESc1ccc(CN2CCN3c4ncccc4CC3C2)cc1
InChIInChI=1S/C17H19N3/c1-2-5-14(6-3-1)12-19-9-10-20-16(13-19)11-15-7-4-8-18-17(15)20/h1-8,16H,9-13H2
InChIKeyQMYXRJMTRUTBHP-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.33
Rot. Bonds2

About 11-benzyl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5-triene

11-benzyl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5-triene (PubChem CID 67154993) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is 11-benzyl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5-triene.

Molecular Properties

Compound Name11-benzyl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5-triene
PubChem CID67154993
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC Name11-benzyl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5-triene
SMILESc1ccc(CN2CCN3c4ncccc4CC3C2)cc1
InChIInChI=1S/C17H19N3/c1-2-5-14(6-3-1)12-19-9-10-20-16(13-19)11-15-7-4-8-18-17(15)20/h1-8,16H,9-13H2
InChIKeyQMYXRJMTRUTBHP-UHFFFAOYSA-N
XLogP2.33
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 11-benzyl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5-triene?
The IUPAC name of 11-benzyl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5-triene (CID 67154993) is 11-benzyl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5-triene.
What is the SMILES notation for 11-benzyl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5-triene?
The canonical SMILES for 11-benzyl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5-triene is c1ccc(CN2CCN3c4ncccc4CC3C2)cc1.
What is the InChIKey of 11-benzyl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5-triene?
The InChIKey is QMYXRJMTRUTBHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3/c1-2-5-14(6-3-1)12-19-9-10-20-16(13-19)11-15-7-4-8-18-17(15)20/h1-8,16H,9-13H2.
What are the key properties of 11-benzyl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5-triene?
11-benzyl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5-triene has a molecular weight of 265.36 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-benzyl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5-triene is sourced from PubChem (CID 67154993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).