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

C19H19N3 — CID 946227

IUPAC3,4,5,7-tetramethyl-11-phenyl-4,8,9-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene
SMILESCc1nn2cc(-c3ccccc3)cc2c2c(C)n(C)c(C)c12
InChIInChI=1S/C19H19N3/c1-12-18-13(2)21(4)14(3)19(18)17-10-16(11-22(17)20-12)15-8-6-5-7-9-15/h5-11H,1-4H3
InChIKeyLXOMXYPTONAMJH-UHFFFAOYSA-N
MW289.38 g/mol
LogP4.42
Rot. Bonds1

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

3,4,5,7-tetramethyl-11-phenyl-4,8,9-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene (PubChem CID 946227) has the molecular formula C19H19N3 and a molecular weight of 289.38 g/mol. Its IUPAC name is 3,4,5,7-tetramethyl-11-phenyl-4,8,9-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene.

Molecular Properties

Compound Name3,4,5,7-tetramethyl-11-phenyl-4,8,9-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene
PubChem CID946227
Molecular FormulaC19H19N3
Molecular Weight289.38 g/mol
Exact Mass289.16
IUPAC Name3,4,5,7-tetramethyl-11-phenyl-4,8,9-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene
SMILESCc1nn2cc(-c3ccccc3)cc2c2c(C)n(C)c(C)c12
InChIInChI=1S/C19H19N3/c1-12-18-13(2)21(4)14(3)19(18)17-10-16(11-22(17)20-12)15-8-6-5-7-9-15/h5-11H,1-4H3
InChIKeyLXOMXYPTONAMJH-UHFFFAOYSA-N
XLogP4.42
TPSA22.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,4,5,7-tetramethyl-11-phenyl-4,8,9-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene?
The IUPAC name of 3,4,5,7-tetramethyl-11-phenyl-4,8,9-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene (CID 946227) is 3,4,5,7-tetramethyl-11-phenyl-4,8,9-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene.
What is the SMILES notation for 3,4,5,7-tetramethyl-11-phenyl-4,8,9-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene?
The canonical SMILES for 3,4,5,7-tetramethyl-11-phenyl-4,8,9-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene is Cc1nn2cc(-c3ccccc3)cc2c2c(C)n(C)c(C)c12.
What is the InChIKey of 3,4,5,7-tetramethyl-11-phenyl-4,8,9-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene?
The InChIKey is LXOMXYPTONAMJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3/c1-12-18-13(2)21(4)14(3)19(18)17-10-16(11-22(17)20-12)15-8-6-5-7-9-15/h5-11H,1-4H3.
What are the key properties of 3,4,5,7-tetramethyl-11-phenyl-4,8,9-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene?
3,4,5,7-tetramethyl-11-phenyl-4,8,9-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene has a molecular weight of 289.38 g/mol, XLogP of 4.42, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5,7-tetramethyl-11-phenyl-4,8,9-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene is sourced from PubChem (CID 946227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).