2,13-diazatricyclo[7.3.1.05,13]trideca-1,3,5,7,9,11-hexaene

C11H8N2 — CID 135082283

IUPAC2,13-diazatricyclo[7.3.1.05,13]trideca-1,3,5,7,9,11-hexaene
SMILESC1=CC2=CC=CC3=NC=CC(=C1)N23
InChIInChI=1S/C11H8N2/c1-3-9-5-2-6-11-12-8-7-10(4-1)13(9)11/h1-8H
InChIKeyKHIDMFKWCYMIAR-UHFFFAOYSA-N
MW168.20 g/mol
LogP2.12
Rot. Bonds

About 2,13-diazatricyclo[7.3.1.05,13]trideca-1,3,5,7,9,11-hexaene

2,13-diazatricyclo[7.3.1.05,13]trideca-1,3,5,7,9,11-hexaene (PubChem CID 135082283) has the molecular formula C11H8N2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 2,13-diazatricyclo[7.3.1.05,13]trideca-1,3,5,7,9,11-hexaene.

Molecular Properties

Compound Name2,13-diazatricyclo[7.3.1.05,13]trideca-1,3,5,7,9,11-hexaene
PubChem CID135082283
Molecular FormulaC11H8N2
Molecular Weight168.20 g/mol
Exact Mass168.07
IUPAC Name2,13-diazatricyclo[7.3.1.05,13]trideca-1,3,5,7,9,11-hexaene
SMILESC1=CC2=CC=CC3=NC=CC(=C1)N23
InChIInChI=1S/C11H8N2/c1-3-9-5-2-6-11-12-8-7-10(4-1)13(9)11/h1-8H
InChIKeyKHIDMFKWCYMIAR-UHFFFAOYSA-N
XLogP2.12
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,13-diazatricyclo[7.3.1.05,13]trideca-1,3,5,7,9,11-hexaene?
The IUPAC name of 2,13-diazatricyclo[7.3.1.05,13]trideca-1,3,5,7,9,11-hexaene (CID 135082283) is 2,13-diazatricyclo[7.3.1.05,13]trideca-1,3,5,7,9,11-hexaene.
What is the SMILES notation for 2,13-diazatricyclo[7.3.1.05,13]trideca-1,3,5,7,9,11-hexaene?
The canonical SMILES for 2,13-diazatricyclo[7.3.1.05,13]trideca-1,3,5,7,9,11-hexaene is C1=CC2=CC=CC3=NC=CC(=C1)N23.
What is the InChIKey of 2,13-diazatricyclo[7.3.1.05,13]trideca-1,3,5,7,9,11-hexaene?
The InChIKey is KHIDMFKWCYMIAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2/c1-3-9-5-2-6-11-12-8-7-10(4-1)13(9)11/h1-8H.
What are the key properties of 2,13-diazatricyclo[7.3.1.05,13]trideca-1,3,5,7,9,11-hexaene?
2,13-diazatricyclo[7.3.1.05,13]trideca-1,3,5,7,9,11-hexaene has a molecular weight of 168.20 g/mol, XLogP of 2.12, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,13-diazatricyclo[7.3.1.05,13]trideca-1,3,5,7,9,11-hexaene is sourced from PubChem (CID 135082283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).