1,11-diazatricyclo[6.5.1.04,14]tetradeca-2,4(14),5,7-tetraene

C12H14N2 — CID 67368320

IUPAC1,11-diazatricyclo[6.5.1.04,14]tetradeca-2,4(14),5,7-tetraene
SMILESc1cc2c3c(c1)ccn3CCNCC2
InChIInChI=1S/C12H14N2/c1-2-10-4-6-13-7-9-14-8-5-11(3-1)12(10)14/h1-3,5,8,13H,4,6-7,9H2
InChIKeyYUBYRNLAERRLNG-UHFFFAOYSA-N
MW186.26 g/mol
LogP1.79
Rot. Bonds

About 1,11-diazatricyclo[6.5.1.04,14]tetradeca-2,4(14),5,7-tetraene

1,11-diazatricyclo[6.5.1.04,14]tetradeca-2,4(14),5,7-tetraene (PubChem CID 67368320) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 1,11-diazatricyclo[6.5.1.04,14]tetradeca-2,4(14),5,7-tetraene.

Molecular Properties

Compound Name1,11-diazatricyclo[6.5.1.04,14]tetradeca-2,4(14),5,7-tetraene
PubChem CID67368320
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name1,11-diazatricyclo[6.5.1.04,14]tetradeca-2,4(14),5,7-tetraene
SMILESc1cc2c3c(c1)ccn3CCNCC2
InChIInChI=1S/C12H14N2/c1-2-10-4-6-13-7-9-14-8-5-11(3-1)12(10)14/h1-3,5,8,13H,4,6-7,9H2
InChIKeyYUBYRNLAERRLNG-UHFFFAOYSA-N
XLogP1.79
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,11-diazatricyclo[6.5.1.04,14]tetradeca-2,4(14),5,7-tetraene?
The IUPAC name of 1,11-diazatricyclo[6.5.1.04,14]tetradeca-2,4(14),5,7-tetraene (CID 67368320) is 1,11-diazatricyclo[6.5.1.04,14]tetradeca-2,4(14),5,7-tetraene.
What is the SMILES notation for 1,11-diazatricyclo[6.5.1.04,14]tetradeca-2,4(14),5,7-tetraene?
The canonical SMILES for 1,11-diazatricyclo[6.5.1.04,14]tetradeca-2,4(14),5,7-tetraene is c1cc2c3c(c1)ccn3CCNCC2.
What is the InChIKey of 1,11-diazatricyclo[6.5.1.04,14]tetradeca-2,4(14),5,7-tetraene?
The InChIKey is YUBYRNLAERRLNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c1-2-10-4-6-13-7-9-14-8-5-11(3-1)12(10)14/h1-3,5,8,13H,4,6-7,9H2.
What are the key properties of 1,11-diazatricyclo[6.5.1.04,14]tetradeca-2,4(14),5,7-tetraene?
1,11-diazatricyclo[6.5.1.04,14]tetradeca-2,4(14),5,7-tetraene has a molecular weight of 186.26 g/mol, XLogP of 1.79, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,11-diazatricyclo[6.5.1.04,14]tetradeca-2,4(14),5,7-tetraene is sourced from PubChem (CID 67368320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).