1,11-diazatricyclo[7.4.1.05,14]tetradeca-5(14),6,8-triene

C12H16N2 — CID 22036724

IUPAC1,11-diazatricyclo[7.4.1.05,14]tetradeca-5(14),6,8-triene
SMILESc1cc2c3c(c1)CNCCN3CCC2
InChIInChI=1S/C12H16N2/c1-3-10-5-2-7-14-8-6-13-9-11(4-1)12(10)14/h1,3-4,13H,2,5-9H2
InChIKeyBBFXEOWPELWKIY-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.54
Rot. Bonds

About 1,11-diazatricyclo[7.4.1.05,14]tetradeca-5(14),6,8-triene

1,11-diazatricyclo[7.4.1.05,14]tetradeca-5(14),6,8-triene (PubChem CID 22036724) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 1,11-diazatricyclo[7.4.1.05,14]tetradeca-5(14),6,8-triene.

Molecular Properties

Compound Name1,11-diazatricyclo[7.4.1.05,14]tetradeca-5(14),6,8-triene
PubChem CID22036724
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name1,11-diazatricyclo[7.4.1.05,14]tetradeca-5(14),6,8-triene
SMILESc1cc2c3c(c1)CNCCN3CCC2
InChIInChI=1S/C12H16N2/c1-3-10-5-2-7-14-8-6-13-9-11(4-1)12(10)14/h1,3-4,13H,2,5-9H2
InChIKeyBBFXEOWPELWKIY-UHFFFAOYSA-N
XLogP1.54
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,11-diazatricyclo[7.4.1.05,14]tetradeca-5(14),6,8-triene?
The IUPAC name of 1,11-diazatricyclo[7.4.1.05,14]tetradeca-5(14),6,8-triene (CID 22036724) is 1,11-diazatricyclo[7.4.1.05,14]tetradeca-5(14),6,8-triene.
What is the SMILES notation for 1,11-diazatricyclo[7.4.1.05,14]tetradeca-5(14),6,8-triene?
The canonical SMILES for 1,11-diazatricyclo[7.4.1.05,14]tetradeca-5(14),6,8-triene is c1cc2c3c(c1)CNCCN3CCC2.
What is the InChIKey of 1,11-diazatricyclo[7.4.1.05,14]tetradeca-5(14),6,8-triene?
The InChIKey is BBFXEOWPELWKIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-3-10-5-2-7-14-8-6-13-9-11(4-1)12(10)14/h1,3-4,13H,2,5-9H2.
What are the key properties of 1,11-diazatricyclo[7.4.1.05,14]tetradeca-5(14),6,8-triene?
1,11-diazatricyclo[7.4.1.05,14]tetradeca-5(14),6,8-triene has a molecular weight of 188.27 g/mol, XLogP of 1.54, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,11-diazatricyclo[7.4.1.05,14]tetradeca-5(14),6,8-triene is sourced from PubChem (CID 22036724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).