3,15-diazatricyclo[9.4.0.02,7]pentadeca-1,3,5,7,9,11,13-heptaene

C13H10N2 — CID 87852946

IUPAC3,15-diazatricyclo[9.4.0.02,7]pentadeca-1,3,5,7,9,11,13-heptaene
SMILESC1=CNC2=c3ncccc3=CC=CC2=C1
InChIInChI=1S/C13H10N2/c1-4-10-6-2-8-14-12(10)13-11(5-1)7-3-9-15-13/h1-9,14H
InChIKeyRQCVBJZBXQCJEG-UHFFFAOYSA-N
MW194.24 g/mol
LogP0.58
Rot. Bonds

About 3,15-diazatricyclo[9.4.0.02,7]pentadeca-1,3,5,7,9,11,13-heptaene

3,15-diazatricyclo[9.4.0.02,7]pentadeca-1,3,5,7,9,11,13-heptaene (PubChem CID 87852946) has the molecular formula C13H10N2 and a molecular weight of 194.24 g/mol. Its IUPAC name is 3,15-diazatricyclo[9.4.0.02,7]pentadeca-1,3,5,7,9,11,13-heptaene.

Molecular Properties

Compound Name3,15-diazatricyclo[9.4.0.02,7]pentadeca-1,3,5,7,9,11,13-heptaene
PubChem CID87852946
Molecular FormulaC13H10N2
Molecular Weight194.24 g/mol
Exact Mass194.08
IUPAC Name3,15-diazatricyclo[9.4.0.02,7]pentadeca-1,3,5,7,9,11,13-heptaene
SMILESC1=CNC2=c3ncccc3=CC=CC2=C1
InChIInChI=1S/C13H10N2/c1-4-10-6-2-8-14-12(10)13-11(5-1)7-3-9-15-13/h1-9,14H
InChIKeyRQCVBJZBXQCJEG-UHFFFAOYSA-N
XLogP0.58
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,15-diazatricyclo[9.4.0.02,7]pentadeca-1,3,5,7,9,11,13-heptaene?
The IUPAC name of 3,15-diazatricyclo[9.4.0.02,7]pentadeca-1,3,5,7,9,11,13-heptaene (CID 87852946) is 3,15-diazatricyclo[9.4.0.02,7]pentadeca-1,3,5,7,9,11,13-heptaene.
What is the SMILES notation for 3,15-diazatricyclo[9.4.0.02,7]pentadeca-1,3,5,7,9,11,13-heptaene?
The canonical SMILES for 3,15-diazatricyclo[9.4.0.02,7]pentadeca-1,3,5,7,9,11,13-heptaene is C1=CNC2=c3ncccc3=CC=CC2=C1.
What is the InChIKey of 3,15-diazatricyclo[9.4.0.02,7]pentadeca-1,3,5,7,9,11,13-heptaene?
The InChIKey is RQCVBJZBXQCJEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2/c1-4-10-6-2-8-14-12(10)13-11(5-1)7-3-9-15-13/h1-9,14H.
What are the key properties of 3,15-diazatricyclo[9.4.0.02,7]pentadeca-1,3,5,7,9,11,13-heptaene?
3,15-diazatricyclo[9.4.0.02,7]pentadeca-1,3,5,7,9,11,13-heptaene has a molecular weight of 194.24 g/mol, XLogP of 0.58, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,15-diazatricyclo[9.4.0.02,7]pentadeca-1,3,5,7,9,11,13-heptaene is sourced from PubChem (CID 87852946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).