7,13-diazatricyclo[6.4.1.04,13]trideca-1(12),2,4,6,8,10-hexaene

C11H8N2 — CID 135082434

IUPAC7,13-diazatricyclo[6.4.1.04,13]trideca-1(12),2,4,6,8,10-hexaene
SMILESC1=CC=c2nccc3ccc(n23)=C1
InChIInChI=1S/C11H8N2/c1-2-4-11-12-8-7-10-6-5-9(3-1)13(10)11/h1-8H
InChIKeyVBLXPTCJOCKFKR-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.47
Rot. Bonds

About 7,13-diazatricyclo[6.4.1.04,13]trideca-1(12),2,4,6,8,10-hexaene

7,13-diazatricyclo[6.4.1.04,13]trideca-1(12),2,4,6,8,10-hexaene (PubChem CID 135082434) has the molecular formula C11H8N2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 7,13-diazatricyclo[6.4.1.04,13]trideca-1(12),2,4,6,8,10-hexaene.

Molecular Properties

Compound Name7,13-diazatricyclo[6.4.1.04,13]trideca-1(12),2,4,6,8,10-hexaene
PubChem CID135082434
Molecular FormulaC11H8N2
Molecular Weight168.20 g/mol
Exact Mass168.07
IUPAC Name7,13-diazatricyclo[6.4.1.04,13]trideca-1(12),2,4,6,8,10-hexaene
SMILESC1=CC=c2nccc3ccc(n23)=C1
InChIInChI=1S/C11H8N2/c1-2-4-11-12-8-7-10-6-5-9(3-1)13(10)11/h1-8H
InChIKeyVBLXPTCJOCKFKR-UHFFFAOYSA-N
XLogP0.47
TPSA17.30 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 ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7,13-diazatricyclo[6.4.1.04,13]trideca-1(12),2,4,6,8,10-hexaene?
The IUPAC name of 7,13-diazatricyclo[6.4.1.04,13]trideca-1(12),2,4,6,8,10-hexaene (CID 135082434) is 7,13-diazatricyclo[6.4.1.04,13]trideca-1(12),2,4,6,8,10-hexaene.
What is the SMILES notation for 7,13-diazatricyclo[6.4.1.04,13]trideca-1(12),2,4,6,8,10-hexaene?
The canonical SMILES for 7,13-diazatricyclo[6.4.1.04,13]trideca-1(12),2,4,6,8,10-hexaene is C1=CC=c2nccc3ccc(n23)=C1.
What is the InChIKey of 7,13-diazatricyclo[6.4.1.04,13]trideca-1(12),2,4,6,8,10-hexaene?
The InChIKey is VBLXPTCJOCKFKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2/c1-2-4-11-12-8-7-10-6-5-9(3-1)13(10)11/h1-8H.
What are the key properties of 7,13-diazatricyclo[6.4.1.04,13]trideca-1(12),2,4,6,8,10-hexaene?
7,13-diazatricyclo[6.4.1.04,13]trideca-1(12),2,4,6,8,10-hexaene has a molecular weight of 168.20 g/mol, XLogP of 0.47, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,13-diazatricyclo[6.4.1.04,13]trideca-1(12),2,4,6,8,10-hexaene is sourced from PubChem (CID 135082434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).