5,10-diazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,4,6-tetraene

C13H14N2 — CID 70378758

IUPAC5,10-diazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,4,6-tetraene
SMILESC1=NC2=CC3CNC4CCCC(=C34)C2=C1
InChIInChI=1S/C13H14N2/c1-2-10-9-4-5-14-12(9)6-8-7-15-11(3-1)13(8)10/h4-6,8,11,15H,1-3,7H2
InChIKeyQBGWOQIWNBQYGR-UHFFFAOYSA-N
MW198.27 g/mol
LogP1.96
Rot. Bonds

About 5,10-diazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,4,6-tetraene

5,10-diazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,4,6-tetraene (PubChem CID 70378758) has the molecular formula C13H14N2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 5,10-diazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,4,6-tetraene.

Molecular Properties

Compound Name5,10-diazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,4,6-tetraene
PubChem CID70378758
Molecular FormulaC13H14N2
Molecular Weight198.27 g/mol
Exact Mass198.12
IUPAC Name5,10-diazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,4,6-tetraene
SMILESC1=NC2=CC3CNC4CCCC(=C34)C2=C1
InChIInChI=1S/C13H14N2/c1-2-10-9-4-5-14-12(9)6-8-7-15-11(3-1)13(8)10/h4-6,8,11,15H,1-3,7H2
InChIKeyQBGWOQIWNBQYGR-UHFFFAOYSA-N
XLogP1.96
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,10-diazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,4,6-tetraene?
The IUPAC name of 5,10-diazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,4,6-tetraene (CID 70378758) is 5,10-diazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,4,6-tetraene.
What is the SMILES notation for 5,10-diazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,4,6-tetraene?
The canonical SMILES for 5,10-diazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,4,6-tetraene is C1=NC2=CC3CNC4CCCC(=C34)C2=C1.
What is the InChIKey of 5,10-diazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,4,6-tetraene?
The InChIKey is QBGWOQIWNBQYGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2/c1-2-10-9-4-5-14-12(9)6-8-7-15-11(3-1)13(8)10/h4-6,8,11,15H,1-3,7H2.
What are the key properties of 5,10-diazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,4,6-tetraene?
5,10-diazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,4,6-tetraene has a molecular weight of 198.27 g/mol, XLogP of 1.96, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10-diazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,4,6-tetraene is sourced from PubChem (CID 70378758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).