3,11-diazatricyclo[6.4.1.04,13]trideca-4,6,8,10-tetraene

C11H12N2 — CID 67727301

IUPAC3,11-diazatricyclo[6.4.1.04,13]trideca-4,6,8,10-tetraene
SMILESC1=CC2=CC=NCC3CNC(=C1)C23
InChIInChI=1S/C11H12N2/c1-2-8-4-5-12-6-9-7-13-10(3-1)11(8)9/h1-5,9,11,13H,6-7H2
InChIKeyHJZYOXGIUGAJLZ-UHFFFAOYSA-N
MW172.23 g/mol
LogP1.29
Rot. Bonds

About 3,11-diazatricyclo[6.4.1.04,13]trideca-4,6,8,10-tetraene

3,11-diazatricyclo[6.4.1.04,13]trideca-4,6,8,10-tetraene (PubChem CID 67727301) has the molecular formula C11H12N2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 3,11-diazatricyclo[6.4.1.04,13]trideca-4,6,8,10-tetraene.

Molecular Properties

Compound Name3,11-diazatricyclo[6.4.1.04,13]trideca-4,6,8,10-tetraene
PubChem CID67727301
Molecular FormulaC11H12N2
Molecular Weight172.23 g/mol
Exact Mass172.10
IUPAC Name3,11-diazatricyclo[6.4.1.04,13]trideca-4,6,8,10-tetraene
SMILESC1=CC2=CC=NCC3CNC(=C1)C23
InChIInChI=1S/C11H12N2/c1-2-8-4-5-12-6-9-7-13-10(3-1)11(8)9/h1-5,9,11,13H,6-7H2
InChIKeyHJZYOXGIUGAJLZ-UHFFFAOYSA-N
XLogP1.29
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,11-diazatricyclo[6.4.1.04,13]trideca-4,6,8,10-tetraene?
The IUPAC name of 3,11-diazatricyclo[6.4.1.04,13]trideca-4,6,8,10-tetraene (CID 67727301) is 3,11-diazatricyclo[6.4.1.04,13]trideca-4,6,8,10-tetraene.
What is the SMILES notation for 3,11-diazatricyclo[6.4.1.04,13]trideca-4,6,8,10-tetraene?
The canonical SMILES for 3,11-diazatricyclo[6.4.1.04,13]trideca-4,6,8,10-tetraene is C1=CC2=CC=NCC3CNC(=C1)C23.
What is the InChIKey of 3,11-diazatricyclo[6.4.1.04,13]trideca-4,6,8,10-tetraene?
The InChIKey is HJZYOXGIUGAJLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2/c1-2-8-4-5-12-6-9-7-13-10(3-1)11(8)9/h1-5,9,11,13H,6-7H2.
What are the key properties of 3,11-diazatricyclo[6.4.1.04,13]trideca-4,6,8,10-tetraene?
3,11-diazatricyclo[6.4.1.04,13]trideca-4,6,8,10-tetraene has a molecular weight of 172.23 g/mol, XLogP of 1.29, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,11-diazatricyclo[6.4.1.04,13]trideca-4,6,8,10-tetraene is sourced from PubChem (CID 67727301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).