4-benzyl-3,5,7,11-tetramethyl-4,8,9-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene

C20H21N3 — CID 934214

IUPAC4-benzyl-3,5,7,11-tetramethyl-4,8,9-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene
SMILESCc1cc2c3c(C)n(Cc4ccccc4)c(C)c3c(C)nn2c1
InChIInChI=1S/C20H21N3/c1-13-10-18-20-16(4)22(12-17-8-6-5-7-9-17)15(3)19(20)14(2)21-23(18)11-13/h5-11H,12H2,1-4H3
InChIKeyOPCQLPZYUZBNDY-UHFFFAOYSA-N
MW303.41 g/mol
LogP4.57
Rot. Bonds2

About 4-benzyl-3,5,7,11-tetramethyl-4,8,9-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene

4-benzyl-3,5,7,11-tetramethyl-4,8,9-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene (PubChem CID 934214) has the molecular formula C20H21N3 and a molecular weight of 303.41 g/mol. Its IUPAC name is 4-benzyl-3,5,7,11-tetramethyl-4,8,9-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene.

Molecular Properties

Compound Name4-benzyl-3,5,7,11-tetramethyl-4,8,9-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene
PubChem CID934214
Molecular FormulaC20H21N3
Molecular Weight303.41 g/mol
Exact Mass303.17
IUPAC Name4-benzyl-3,5,7,11-tetramethyl-4,8,9-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene
SMILESCc1cc2c3c(C)n(Cc4ccccc4)c(C)c3c(C)nn2c1
InChIInChI=1S/C20H21N3/c1-13-10-18-20-16(4)22(12-17-8-6-5-7-9-17)15(3)19(20)14(2)21-23(18)11-13/h5-11H,12H2,1-4H3
InChIKeyOPCQLPZYUZBNDY-UHFFFAOYSA-N
XLogP4.57
TPSA22.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-3,5,7,11-tetramethyl-4,8,9-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene?
The IUPAC name of 4-benzyl-3,5,7,11-tetramethyl-4,8,9-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene (CID 934214) is 4-benzyl-3,5,7,11-tetramethyl-4,8,9-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene.
What is the SMILES notation for 4-benzyl-3,5,7,11-tetramethyl-4,8,9-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene?
The canonical SMILES for 4-benzyl-3,5,7,11-tetramethyl-4,8,9-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene is Cc1cc2c3c(C)n(Cc4ccccc4)c(C)c3c(C)nn2c1.
What is the InChIKey of 4-benzyl-3,5,7,11-tetramethyl-4,8,9-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene?
The InChIKey is OPCQLPZYUZBNDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3/c1-13-10-18-20-16(4)22(12-17-8-6-5-7-9-17)15(3)19(20)14(2)21-23(18)11-13/h5-11H,12H2,1-4H3.
What are the key properties of 4-benzyl-3,5,7,11-tetramethyl-4,8,9-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene?
4-benzyl-3,5,7,11-tetramethyl-4,8,9-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene has a molecular weight of 303.41 g/mol, XLogP of 4.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-3,5,7,11-tetramethyl-4,8,9-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene is sourced from PubChem (CID 934214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).