13-methyl-1,7,13,15-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

C15H12N5+ — CID 160920064

IUPAC13-methyl-1,7,13,15-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
SMILESCn1c2ncccc2n2c3[n+](cc12)Cc1ncccc1-3
InChIInChI=1S/C15H12N5/c1-18-13-9-19-8-11-10(4-2-6-16-11)15(19)20(13)12-5-3-7-17-14(12)18/h2-7,9H,8H2,1H3/q+1
InChIKeyRIJFCYJWTDIDIK-UHFFFAOYSA-N
MW262.30 g/mol
LogP1.54
Rot. Bonds

About 13-methyl-1,7,13,15-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-methyl-1,7,13,15-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 (PubChem CID 160920064) has the molecular formula C15H12N5+ and a molecular weight of 262.30 g/mol. Its IUPAC name is 13-methyl-1,7,13,15-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.

Molecular Properties

Compound Name13-methyl-1,7,13,15-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
PubChem CID160920064
Molecular FormulaC15H12N5+
Molecular Weight262.30 g/mol
Exact Mass262.11
IUPAC Name13-methyl-1,7,13,15-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
SMILESCn1c2ncccc2n2c3[n+](cc12)Cc1ncccc1-3
InChIInChI=1S/C15H12N5/c1-18-13-9-19-8-11-10(4-2-6-16-11)15(19)20(13)12-5-3-7-17-14(12)18/h2-7,9H,8H2,1H3/q+1
InChIKeyRIJFCYJWTDIDIK-UHFFFAOYSA-N
XLogP1.54
TPSA39.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 13-methyl-1,7,13,15-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 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

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-1,4,13-triaza-10-azoniapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3(8),4,6,11,14,16,18-octaene
CID 160829920
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-methyl-3,11,17-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 157470911
11-methyl-1,4,8,17-tetraza-11-azoniapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-2,5,7,9,11,13(18),14,16-octaene
CID 158973826
11-methyl-3,5,11,17-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
CID 158712210
11-phenyl-4,8,11,17-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 162222251
3-methyl-11-thia-3,5,17-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 157242356
11-methyl-3-oxa-7,11,17-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 158559201
3,11-bis(trideuteriomethyl)-3,7,11,17-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 158559204
9-methylpyrido[2,3-b]indole
CID 12596580
11-(trideuteriomethyl)-3,6,11,17-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
CID 158658427

Frequently Asked Questions

What is the IUPAC name of 13-methyl-1,7,13,15-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?
The IUPAC name of 13-methyl-1,7,13,15-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 160920064) is 13-methyl-1,7,13,15-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.
What is the SMILES notation for 13-methyl-1,7,13,15-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?
The canonical SMILES for 13-methyl-1,7,13,15-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 is Cn1c2ncccc2n2c3[n+](cc12)Cc1ncccc1-3.
What is the InChIKey of 13-methyl-1,7,13,15-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?
The InChIKey is RIJFCYJWTDIDIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N5/c1-18-13-9-19-8-11-10(4-2-6-16-11)15(19)20(13)12-5-3-7-17-14(12)18/h2-7,9H,8H2,1H3/q+1.
What are the key properties of 13-methyl-1,7,13,15-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-methyl-1,7,13,15-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 has a molecular weight of 262.30 g/mol, XLogP of 1.54, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 13-methyl-1,7,13,15-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 is sourced from PubChem (CID 160920064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).