8-methyl-1,3,6,11-tetraza-8-azoniatetracyclo[10.4.0.02,6.07,11]hexadeca-2,7,13,15-tetraene

C12H16N5+ — CID 2825693

IUPAC8-methyl-1,3,6,11-tetraza-8-azoniatetracyclo[10.4.0.02,6.07,11]hexadeca-2,7,13,15-tetraene
SMILESC[N+]1=C2N3CCN=C3N3C=CC=CC3N2CC1
InChIInChI=1S/C12H16N5/c1-14-8-9-16-10-4-2-3-6-15(10)11-13-5-7-17(11)12(14)16/h2-4,6,10H,5,7-9H2,1H3/q+1
InChIKeyUEGWBASGHDPTQM-UHFFFAOYSA-N
MW230.29 g/mol
LogP-0.30
Rot. Bonds

About 8-methyl-1,3,6,11-tetraza-8-azoniatetracyclo[10.4.0.02,6.07,11]hexadeca-2,7,13,15-tetraene

8-methyl-1,3,6,11-tetraza-8-azoniatetracyclo[10.4.0.02,6.07,11]hexadeca-2,7,13,15-tetraene (PubChem CID 2825693) has the molecular formula C12H16N5+ and a molecular weight of 230.29 g/mol. Its IUPAC name is 8-methyl-1,3,6,11-tetraza-8-azoniatetracyclo[10.4.0.02,6.07,11]hexadeca-2,7,13,15-tetraene.

Molecular Properties

Compound Name8-methyl-1,3,6,11-tetraza-8-azoniatetracyclo[10.4.0.02,6.07,11]hexadeca-2,7,13,15-tetraene
PubChem CID2825693
Molecular FormulaC12H16N5+
Molecular Weight230.29 g/mol
Exact Mass230.14
IUPAC Name8-methyl-1,3,6,11-tetraza-8-azoniatetracyclo[10.4.0.02,6.07,11]hexadeca-2,7,13,15-tetraene
SMILESC[N+]1=C2N3CCN=C3N3C=CC=CC3N2CC1
InChIInChI=1S/C12H16N5/c1-14-8-9-16-10-4-2-3-6-15(10)11-13-5-7-17(11)12(14)16/h2-4,6,10H,5,7-9H2,1H3/q+1
InChIKeyUEGWBASGHDPTQM-UHFFFAOYSA-N
XLogP-0.30
TPSA25.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 5-0.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 8-methyl-1,3,6,11-tetraza-8-azoniatetracyclo[10.4.0.02,6.07,11]hexadeca-2,7,13,15-tetraene with MolForge

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

Launch Full Analysis

Related Compounds

1,3,6,8,11-Pentazatetracyclo[10.4.0.02,6.07,11]hexadeca-2,7,13,15-tetraene
CID 12693765
5-Methyl-3,6,7,8a-tetrahydro-2H-diimidazo[1,2-c:1',2'-e]pyrido[1,2-a][1,3,5]triazin-5-ium iodide
CID 139079019
5,11-Dimethyl-2,3,6,7-tetrahydro-8aH-diimidazo[1,2-a:1',2'-c]pyrido[1,2-e][1,3,5]triazin-5-ium iodide
CID 24200029
3-[(4-methylpiperazin-1-yl)methyl]-4H-pyrimidine
CID 91423819
2-(4-methylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidine
CID 175946609
2-(4-ethylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidine
CID 175946618
8,15-Dimethyl-1,3,6,11-tetraza-8-azoniatetracyclo[10.4.0.02,6.07,11]hexadeca-2,7,13,15-tetraene
CID 434678
8-Methyl-1,3,6,11-tetraza-8-azoniatetracyclo[10.4.0.02,6.07,11]hexadeca-2,7,13,15-tetraene iodide
CID 2825692
(12S)-8-methyl-1,3,6,8-tetraza-11-azoniatetracyclo[10.4.0.02,6.07,11]hexadeca-2,7(11),13,15-tetraene
CID 28958570
(12S)-8,15-dimethyl-1,3,6,11-tetraza-8-azoniatetracyclo[10.4.0.02,6.07,11]hexadeca-2,7,13,15-tetraene
CID 92858986
(12R)-8,15-dimethyl-1,3,6,11-tetraza-8-azoniatetracyclo[10.4.0.02,6.07,11]hexadeca-2,7,13,15-tetraene
CID 92858987

Frequently Asked Questions

What is the IUPAC name of 8-methyl-1,3,6,11-tetraza-8-azoniatetracyclo[10.4.0.02,6.07,11]hexadeca-2,7,13,15-tetraene?
The IUPAC name of 8-methyl-1,3,6,11-tetraza-8-azoniatetracyclo[10.4.0.02,6.07,11]hexadeca-2,7,13,15-tetraene (CID 2825693) is 8-methyl-1,3,6,11-tetraza-8-azoniatetracyclo[10.4.0.02,6.07,11]hexadeca-2,7,13,15-tetraene.
What is the SMILES notation for 8-methyl-1,3,6,11-tetraza-8-azoniatetracyclo[10.4.0.02,6.07,11]hexadeca-2,7,13,15-tetraene?
The canonical SMILES for 8-methyl-1,3,6,11-tetraza-8-azoniatetracyclo[10.4.0.02,6.07,11]hexadeca-2,7,13,15-tetraene is C[N+]1=C2N3CCN=C3N3C=CC=CC3N2CC1.
What is the InChIKey of 8-methyl-1,3,6,11-tetraza-8-azoniatetracyclo[10.4.0.02,6.07,11]hexadeca-2,7,13,15-tetraene?
The InChIKey is UEGWBASGHDPTQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N5/c1-14-8-9-16-10-4-2-3-6-15(10)11-13-5-7-17(11)12(14)16/h2-4,6,10H,5,7-9H2,1H3/q+1.
What are the key properties of 8-methyl-1,3,6,11-tetraza-8-azoniatetracyclo[10.4.0.02,6.07,11]hexadeca-2,7,13,15-tetraene?
8-methyl-1,3,6,11-tetraza-8-azoniatetracyclo[10.4.0.02,6.07,11]hexadeca-2,7,13,15-tetraene has a molecular weight of 230.29 g/mol, XLogP of -0.30, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-1,3,6,11-tetraza-8-azoniatetracyclo[10.4.0.02,6.07,11]hexadeca-2,7,13,15-tetraene is sourced from PubChem (CID 2825693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).