5,13-diazatricyclo[7.3.1.13,7]tetradeca-1(13),3(14),4,6,9,11-hexaene

C12H10N2 — CID 134507677

IUPAC5,13-diazatricyclo[7.3.1.13,7]tetradeca-1(13),3(14),4,6,9,11-hexaene
SMILESc1cc2nc(c1)Cc1cncc(c1)C2
InChIInChI=1S/C12H10N2/c1-2-11-5-9-4-10(8-13-7-9)6-12(3-1)14-11/h1-4,7-8H,5-6H2
InChIKeyBUOBHNSKQAZSBI-UHFFFAOYSA-N
MW182.23 g/mol
LogP1.97
Rot. Bonds

About 5,13-diazatricyclo[7.3.1.13,7]tetradeca-1(13),3(14),4,6,9,11-hexaene

5,13-diazatricyclo[7.3.1.13,7]tetradeca-1(13),3(14),4,6,9,11-hexaene (PubChem CID 134507677) has the molecular formula C12H10N2 and a molecular weight of 182.23 g/mol. Its IUPAC name is 5,13-diazatricyclo[7.3.1.13,7]tetradeca-1(13),3(14),4,6,9,11-hexaene.

Molecular Properties

Compound Name5,13-diazatricyclo[7.3.1.13,7]tetradeca-1(13),3(14),4,6,9,11-hexaene
PubChem CID134507677
Molecular FormulaC12H10N2
Molecular Weight182.23 g/mol
Exact Mass182.08
IUPAC Name5,13-diazatricyclo[7.3.1.13,7]tetradeca-1(13),3(14),4,6,9,11-hexaene
SMILESc1cc2nc(c1)Cc1cncc(c1)C2
InChIInChI=1S/C12H10N2/c1-2-11-5-9-4-10(8-13-7-9)6-12(3-1)14-11/h1-4,7-8H,5-6H2
InChIKeyBUOBHNSKQAZSBI-UHFFFAOYSA-N
XLogP1.97
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,13-diazatricyclo[7.3.1.13,7]tetradeca-1(13),3(14),4,6,9,11-hexaene?
The IUPAC name of 5,13-diazatricyclo[7.3.1.13,7]tetradeca-1(13),3(14),4,6,9,11-hexaene (CID 134507677) is 5,13-diazatricyclo[7.3.1.13,7]tetradeca-1(13),3(14),4,6,9,11-hexaene.
What is the SMILES notation for 5,13-diazatricyclo[7.3.1.13,7]tetradeca-1(13),3(14),4,6,9,11-hexaene?
The canonical SMILES for 5,13-diazatricyclo[7.3.1.13,7]tetradeca-1(13),3(14),4,6,9,11-hexaene is c1cc2nc(c1)Cc1cncc(c1)C2.
What is the InChIKey of 5,13-diazatricyclo[7.3.1.13,7]tetradeca-1(13),3(14),4,6,9,11-hexaene?
The InChIKey is BUOBHNSKQAZSBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2/c1-2-11-5-9-4-10(8-13-7-9)6-12(3-1)14-11/h1-4,7-8H,5-6H2.
What are the key properties of 5,13-diazatricyclo[7.3.1.13,7]tetradeca-1(13),3(14),4,6,9,11-hexaene?
5,13-diazatricyclo[7.3.1.13,7]tetradeca-1(13),3(14),4,6,9,11-hexaene has a molecular weight of 182.23 g/mol, XLogP of 1.97, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,13-diazatricyclo[7.3.1.13,7]tetradeca-1(13),3(14),4,6,9,11-hexaene is sourced from PubChem (CID 134507677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).