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

C14H10N5+ — CID 162242182

IUPAC1,6,13,17-tetraza-10-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-2(10),3(8),4,6,11,14,16,18-octaene
SMILESc1cnc2cn3c4[n+](cc3n2c1)Cc1cnccc1-4
InChIInChI=1S/C14H10N5/c1-3-16-12-8-19-13(18(12)5-1)9-17-7-10-6-15-4-2-11(10)14(17)19/h1-6,8-9H,7H2/q+1
InChIKeyXFCVMNGVRWURPX-UHFFFAOYSA-N
MW248.27 g/mol
LogP1.30
Rot. Bonds

About 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

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 (PubChem CID 162242182) has the molecular formula C14H10N5+ and a molecular weight of 248.27 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1,6,13,17-tetraza-10-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-2(10),3(8),4,6,11,14,16,18-octaene
PubChem CID162242182
Molecular FormulaC14H10N5+
Molecular Weight248.27 g/mol
Exact Mass248.09
IUPAC Name1,6,13,17-tetraza-10-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-2(10),3(8),4,6,11,14,16,18-octaene
SMILESc1cnc2cn3c4[n+](cc3n2c1)Cc1cnccc1-4
InChIInChI=1S/C14H10N5/c1-3-16-12-8-19-13(18(12)5-1)9-17-7-10-6-15-4-2-11(10)14(17)19/h1-6,8-9H,7H2/q+1
InChIKeyXFCVMNGVRWURPX-UHFFFAOYSA-N
XLogP1.30
TPSA38.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.27
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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-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
19-thia-6,12,17-triaza-10-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1,3(8),4,6,10,13(18),14,16-octaene
CID 159203485
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
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
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
19-phenyl-6,12,17,19-tetraza-10-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1,3(8),4,6,10,13(18),14,16-octaene
CID 159203488
13-phenyl-1,5,13,17-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 159860560
13-methyl-1,13,15-triaza-10-azoniapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3,5,7,11,14(19),15,17-octaene
CID 159783417
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;13-phenyl-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;11-thia-3,5,9,16-tetraza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2(10),4,6,8,13(18),14,16-octaene;13-(trideuteriomethyl)-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 160798633
11-phenyl-4,8,11,15-tetraza-1-azoniapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2,4,6,9,13(18),14,16-octaene
CID 163636155
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1cnc2cn3c4[n+](cc3n2c1)Cc1cnccc1-4.
What is the InChIKey of 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?
The InChIKey is XFCVMNGVRWURPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N5/c1-3-16-12-8-19-13(18(12)5-1)9-17-7-10-6-15-4-2-11(10)14(17)19/h1-6,8-9H,7H2/q+1.
What are the key properties of 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?
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 has a molecular weight of 248.27 g/mol, XLogP of 1.30, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 162242182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).