5,10-diazatricyclo[9.4.0.01,6]pentadeca-4,6,8,10-tetraene

C13H16N2 — CID 54447262

IUPAC5,10-diazatricyclo[9.4.0.01,6]pentadeca-4,6,8,10-tetraene
SMILESC1=CN=C2CCCCC23CCC=NC3=C1
InChIInChI=1S/C13H16N2/c1-2-7-13-8-4-10-15-12(13)6-3-9-14-11(13)5-1/h3,6,9-10H,1-2,4-5,7-8H2
InChIKeyWSKDANODABOMTG-UHFFFAOYSA-N
MW200.29 g/mol
LogP3.26
Rot. Bonds

About 5,10-diazatricyclo[9.4.0.01,6]pentadeca-4,6,8,10-tetraene

5,10-diazatricyclo[9.4.0.01,6]pentadeca-4,6,8,10-tetraene (PubChem CID 54447262) has the molecular formula C13H16N2 and a molecular weight of 200.29 g/mol. Its IUPAC name is 5,10-diazatricyclo[9.4.0.01,6]pentadeca-4,6,8,10-tetraene.

Molecular Properties

Compound Name5,10-diazatricyclo[9.4.0.01,6]pentadeca-4,6,8,10-tetraene
PubChem CID54447262
Molecular FormulaC13H16N2
Molecular Weight200.29 g/mol
Exact Mass200.13
IUPAC Name5,10-diazatricyclo[9.4.0.01,6]pentadeca-4,6,8,10-tetraene
SMILESC1=CN=C2CCCCC23CCC=NC3=C1
InChIInChI=1S/C13H16N2/c1-2-7-13-8-4-10-15-12(13)6-3-9-14-11(13)5-1/h3,6,9-10H,1-2,4-5,7-8H2
InChIKeyWSKDANODABOMTG-UHFFFAOYSA-N
XLogP3.26
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.29
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5,10-Diazatricyclo[9.4.0.01,6]pentadeca-2,4,6,8,10,12-hexaene
CID 54252407
5,10-Diazatricyclo[9.4.0.01,6]pentadeca-3,5,9,11-tetraene
CID 67624395
4,5-dimethyl-5-propyl-4,4a-dihydro-3H-quinoline
CID 163650090

Frequently Asked Questions

What is the IUPAC name of 5,10-diazatricyclo[9.4.0.01,6]pentadeca-4,6,8,10-tetraene?
The IUPAC name of 5,10-diazatricyclo[9.4.0.01,6]pentadeca-4,6,8,10-tetraene (CID 54447262) is 5,10-diazatricyclo[9.4.0.01,6]pentadeca-4,6,8,10-tetraene.
What is the SMILES notation for 5,10-diazatricyclo[9.4.0.01,6]pentadeca-4,6,8,10-tetraene?
The canonical SMILES for 5,10-diazatricyclo[9.4.0.01,6]pentadeca-4,6,8,10-tetraene is C1=CN=C2CCCCC23CCC=NC3=C1.
What is the InChIKey of 5,10-diazatricyclo[9.4.0.01,6]pentadeca-4,6,8,10-tetraene?
The InChIKey is WSKDANODABOMTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2/c1-2-7-13-8-4-10-15-12(13)6-3-9-14-11(13)5-1/h3,6,9-10H,1-2,4-5,7-8H2.
What are the key properties of 5,10-diazatricyclo[9.4.0.01,6]pentadeca-4,6,8,10-tetraene?
5,10-diazatricyclo[9.4.0.01,6]pentadeca-4,6,8,10-tetraene has a molecular weight of 200.29 g/mol, XLogP of 3.26, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10-diazatricyclo[9.4.0.01,6]pentadeca-4,6,8,10-tetraene is sourced from PubChem (CID 54447262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).