16,17-diaza-7,10-diazoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,10,12,14-heptaene

C13H12N4+2 — CID 70591840

IUPAC16,17-diaza-7,10-diazoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,10,12,14-heptaene
SMILESc1cc[n+]2c(c1)-c1nn3ccccc3[n+]1CC2
InChIInChI=1S/C13H12N4/c1-3-7-15-9-10-16-12-6-2-4-8-17(12)14-13(16)11(15)5-1/h1-8H,9-10H2/q+2
InChIKeyFGFJOXCUBBAOLV-UHFFFAOYSA-N
MW224.27 g/mol
LogP0.59
Rot. Bonds

About 16,17-diaza-7,10-diazoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,10,12,14-heptaene

16,17-diaza-7,10-diazoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,10,12,14-heptaene (PubChem CID 70591840) has the molecular formula C13H12N4+2 and a molecular weight of 224.27 g/mol. Its IUPAC name is 16,17-diaza-7,10-diazoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,10,12,14-heptaene.

Molecular Properties

Compound Name16,17-diaza-7,10-diazoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,10,12,14-heptaene
PubChem CID70591840
Molecular FormulaC13H12N4+2
Molecular Weight224.27 g/mol
Exact Mass224.11
IUPAC Name16,17-diaza-7,10-diazoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,10,12,14-heptaene
SMILESc1cc[n+]2c(c1)-c1nn3ccccc3[n+]1CC2
InChIInChI=1S/C13H12N4/c1-3-7-15-9-10-16-12-6-2-4-8-17(12)14-13(16)11(15)5-1/h1-8H,9-10H2/q+2
InChIKeyFGFJOXCUBBAOLV-UHFFFAOYSA-N
XLogP0.59
TPSA25.06 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 16,17-diaza-7,10-diazoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,10,12,14-heptaene?
The IUPAC name of 16,17-diaza-7,10-diazoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,10,12,14-heptaene (CID 70591840) is 16,17-diaza-7,10-diazoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,10,12,14-heptaene.
What is the SMILES notation for 16,17-diaza-7,10-diazoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,10,12,14-heptaene?
The canonical SMILES for 16,17-diaza-7,10-diazoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,10,12,14-heptaene is c1cc[n+]2c(c1)-c1nn3ccccc3[n+]1CC2.
What is the InChIKey of 16,17-diaza-7,10-diazoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,10,12,14-heptaene?
The InChIKey is FGFJOXCUBBAOLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4/c1-3-7-15-9-10-16-12-6-2-4-8-17(12)14-13(16)11(15)5-1/h1-8H,9-10H2/q+2.
What are the key properties of 16,17-diaza-7,10-diazoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,10,12,14-heptaene?
16,17-diaza-7,10-diazoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,10,12,14-heptaene has a molecular weight of 224.27 g/mol, XLogP of 0.59, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 16,17-diaza-7,10-diazoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,10,12,14-heptaene is sourced from PubChem (CID 70591840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).