3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),10,12-triene

C11H14N2 — CID 112714414

IUPAC3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),10,12-triene
SMILESc1cc2c(cn1)CC1CCCNC21
InChIInChI=1S/C11H14N2/c1-2-8-6-9-7-12-5-3-10(9)11(8)13-4-1/h3,5,7-8,11,13H,1-2,4,6H2
InChIKeyWEWIFKFOAJFTAO-UHFFFAOYSA-N
MW174.25 g/mol
LogP1.68
Rot. Bonds

About 3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),10,12-triene

3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),10,12-triene (PubChem CID 112714414) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),10,12-triene.

Molecular Properties

Compound Name3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),10,12-triene
PubChem CID112714414
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),10,12-triene
SMILESc1cc2c(cn1)CC1CCCNC21
InChIInChI=1S/C11H14N2/c1-2-8-6-9-7-12-5-3-10(9)11(8)13-4-1/h3,5,7-8,11,13H,1-2,4,6H2
InChIKeyWEWIFKFOAJFTAO-UHFFFAOYSA-N
XLogP1.68
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),10,12-triene?
The IUPAC name of 3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),10,12-triene (CID 112714414) is 3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),10,12-triene.
What is the SMILES notation for 3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),10,12-triene?
The canonical SMILES for 3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),10,12-triene is c1cc2c(cn1)CC1CCCNC21.
What is the InChIKey of 3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),10,12-triene?
The InChIKey is WEWIFKFOAJFTAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2/c1-2-8-6-9-7-12-5-3-10(9)11(8)13-4-1/h3,5,7-8,11,13H,1-2,4,6H2.
What are the key properties of 3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),10,12-triene?
3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),10,12-triene has a molecular weight of 174.25 g/mol, XLogP of 1.68, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),10,12-triene is sourced from PubChem (CID 112714414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).