11-methyl-3,6,9,11,16-pentaza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2(10),4,6,8,13(18),14,16-octaene

C14H11N6+ — CID 162260297

IUPAC11-methyl-3,6,9,11,16-pentaza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2(10),4,6,8,13(18),14,16-octaene
SMILESCn1c2[n+](c3c1nc1cnccn13)Cc1cnccc1-2
InChIInChI=1S/C14H11N6/c1-18-12-14(19-5-4-16-7-11(19)17-12)20-8-9-6-15-3-2-10(9)13(18)20/h2-7H,8H2,1H3/q+1
InChIKeyAWWPDSJHMTWTIB-UHFFFAOYSA-N
MW263.28 g/mol
LogP0.93
Rot. Bonds

About 11-methyl-3,6,9,11,16-pentaza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2(10),4,6,8,13(18),14,16-octaene

11-methyl-3,6,9,11,16-pentaza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2(10),4,6,8,13(18),14,16-octaene (PubChem CID 162260297) has the molecular formula C14H11N6+ and a molecular weight of 263.28 g/mol. Its IUPAC name is 11-methyl-3,6,9,11,16-pentaza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2(10),4,6,8,13(18),14,16-octaene.

Molecular Properties

Compound Name11-methyl-3,6,9,11,16-pentaza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2(10),4,6,8,13(18),14,16-octaene
PubChem CID162260297
Molecular FormulaC14H11N6+
Molecular Weight263.28 g/mol
Exact Mass263.10
IUPAC Name11-methyl-3,6,9,11,16-pentaza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2(10),4,6,8,13(18),14,16-octaene
SMILESCn1c2[n+](c3c1nc1cnccn13)Cc1cnccc1-2
InChIInChI=1S/C14H11N6/c1-18-12-14(19-5-4-16-7-11(19)17-12)20-8-9-6-15-3-2-10(9)13(18)20/h2-7H,8H2,1H3/q+1
InChIKeyAWWPDSJHMTWTIB-UHFFFAOYSA-N
XLogP0.93
TPSA51.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.28
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 11-methyl-3,6,9,11,16-pentaza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2(10),4,6,8,13(18),14,16-octaene 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

11-(trideuteriomethyl)-3,6,9,11,15-pentaza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2(10),4,6,8,13(18),14,16-octaene
CID 157336744
11-methyl-3-phenyl-3,11,16-triaza-1-azoniapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13(18),14,16-octaene
CID 158735831
3-methyl-11-(trideuteriomethyl)-3,6,11,16-tetraza-1-azoniapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene
CID 159731815
11-methyl-3,7,9,11-tetraza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene
CID 158051165
11-phenyl-3,11,16-triaza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2(10),4,6,8,13(18),14,16-octaene
CID 159714305
11-methyl-3-thia-5,11,16-triaza-1-azoniapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene
CID 157375868
11-oxa-6,9,16-triaza-1-azoniapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),3,5,7,13(18),14,16-octaene
CID 161170748
3,11-dimethyl-3,11,15-triaza-1-azoniapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13(18),14,16-octaene
CID 161097527
19-methyl-6,12,19-triaza-10-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1,3(8),4,6,10,13,15,17-octaene
CID 159910653
1,6,13,17-tetraza-10-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-2(10),3(8),4,6,11,14,16,18-octaene
CID 162242182
13-methyl-1,6,13,17-tetraza-10-azoniapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3(8),4,6,11,14(19),15,17-octaene
CID 160798635
11-(trideuteriomethyl)-3-thia-11,16-diaza-1-azoniapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13(18),14,16-octaene
CID 158353309

Frequently Asked Questions

What is the IUPAC name of 11-methyl-3,6,9,11,16-pentaza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2(10),4,6,8,13(18),14,16-octaene?
The IUPAC name of 11-methyl-3,6,9,11,16-pentaza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2(10),4,6,8,13(18),14,16-octaene (CID 162260297) is 11-methyl-3,6,9,11,16-pentaza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2(10),4,6,8,13(18),14,16-octaene.
What is the SMILES notation for 11-methyl-3,6,9,11,16-pentaza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2(10),4,6,8,13(18),14,16-octaene?
The canonical SMILES for 11-methyl-3,6,9,11,16-pentaza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2(10),4,6,8,13(18),14,16-octaene is Cn1c2[n+](c3c1nc1cnccn13)Cc1cnccc1-2.
What is the InChIKey of 11-methyl-3,6,9,11,16-pentaza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2(10),4,6,8,13(18),14,16-octaene?
The InChIKey is AWWPDSJHMTWTIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N6/c1-18-12-14(19-5-4-16-7-11(19)17-12)20-8-9-6-15-3-2-10(9)13(18)20/h2-7H,8H2,1H3/q+1.
What are the key properties of 11-methyl-3,6,9,11,16-pentaza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2(10),4,6,8,13(18),14,16-octaene?
11-methyl-3,6,9,11,16-pentaza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2(10),4,6,8,13(18),14,16-octaene has a molecular weight of 263.28 g/mol, XLogP of 0.93, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methyl-3,6,9,11,16-pentaza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2(10),4,6,8,13(18),14,16-octaene is sourced from PubChem (CID 162260297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).