4,6,12,13-tetramethyl-3,7,8,10-tetraza-1-azoniatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene

C12H14N5+ — CID 21240452

IUPAC4,6,12,13-tetramethyl-3,7,8,10-tetraza-1-azoniatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene
SMILESCc1cc(C)n2nc3ncc(C)c(C)[n+]3c2n1
InChIInChI=1S/C12H14N5/c1-7-6-13-11-15-17-9(3)5-8(2)14-12(17)16(11)10(7)4/h5-6H,1-4H3/q+1
InChIKeyKWRLMWBBBDIHAP-UHFFFAOYSA-N
MW228.28 g/mol
LogP1.10
Rot. Bonds

About 4,6,12,13-tetramethyl-3,7,8,10-tetraza-1-azoniatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene

4,6,12,13-tetramethyl-3,7,8,10-tetraza-1-azoniatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene (PubChem CID 21240452) has the molecular formula C12H14N5+ and a molecular weight of 228.28 g/mol. Its IUPAC name is 4,6,12,13-tetramethyl-3,7,8,10-tetraza-1-azoniatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene.

Molecular Properties

Compound Name4,6,12,13-tetramethyl-3,7,8,10-tetraza-1-azoniatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene
PubChem CID21240452
Molecular FormulaC12H14N5+
Molecular Weight228.28 g/mol
Exact Mass228.12
IUPAC Name4,6,12,13-tetramethyl-3,7,8,10-tetraza-1-azoniatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene
SMILESCc1cc(C)n2nc3ncc(C)c(C)[n+]3c2n1
InChIInChI=1S/C12H14N5/c1-7-6-13-11-15-17-9(3)5-8(2)14-12(17)16(11)10(7)4/h5-6H,1-4H3/q+1
InChIKeyKWRLMWBBBDIHAP-UHFFFAOYSA-N
XLogP1.10
TPSA47.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.28
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 4,6,12,13-tetramethyl-3,7,8,10-tetraza-1-azoniatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene 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 4,6,12,13-tetramethyl-3,7,8,10-tetraza-1-azoniatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene?
The IUPAC name of 4,6,12,13-tetramethyl-3,7,8,10-tetraza-1-azoniatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene (CID 21240452) is 4,6,12,13-tetramethyl-3,7,8,10-tetraza-1-azoniatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene.
What is the SMILES notation for 4,6,12,13-tetramethyl-3,7,8,10-tetraza-1-azoniatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene?
The canonical SMILES for 4,6,12,13-tetramethyl-3,7,8,10-tetraza-1-azoniatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene is Cc1cc(C)n2nc3ncc(C)c(C)[n+]3c2n1.
What is the InChIKey of 4,6,12,13-tetramethyl-3,7,8,10-tetraza-1-azoniatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene?
The InChIKey is KWRLMWBBBDIHAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N5/c1-7-6-13-11-15-17-9(3)5-8(2)14-12(17)16(11)10(7)4/h5-6H,1-4H3/q+1.
What are the key properties of 4,6,12,13-tetramethyl-3,7,8,10-tetraza-1-azoniatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene?
4,6,12,13-tetramethyl-3,7,8,10-tetraza-1-azoniatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene has a molecular weight of 228.28 g/mol, XLogP of 1.10, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6,12,13-tetramethyl-3,7,8,10-tetraza-1-azoniatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene is sourced from PubChem (CID 21240452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).