4,12-diazatricyclo[7.5.0.01,5]tetradeca-2,4,6,8,11,13-hexaene

C12H10N2 — CID 57157182

IUPAC4,12-diazatricyclo[7.5.0.01,5]tetradeca-2,4,6,8,11,13-hexaene
SMILESC1=CC2=NC=CC23C=CN=CCC3=C1
InChIInChI=1S/C12H10N2/c1-2-10-4-7-13-8-5-12(10)6-9-14-11(12)3-1/h1-3,5-9H,4H2
InChIKeyGIOCRIHQWNAPGC-UHFFFAOYSA-N
MW182.23 g/mol
LogP2.43
Rot. Bonds

About 4,12-diazatricyclo[7.5.0.01,5]tetradeca-2,4,6,8,11,13-hexaene

4,12-diazatricyclo[7.5.0.01,5]tetradeca-2,4,6,8,11,13-hexaene (PubChem CID 57157182) has the molecular formula C12H10N2 and a molecular weight of 182.23 g/mol. Its IUPAC name is 4,12-diazatricyclo[7.5.0.01,5]tetradeca-2,4,6,8,11,13-hexaene.

Molecular Properties

Compound Name4,12-diazatricyclo[7.5.0.01,5]tetradeca-2,4,6,8,11,13-hexaene
PubChem CID57157182
Molecular FormulaC12H10N2
Molecular Weight182.23 g/mol
Exact Mass182.08
IUPAC Name4,12-diazatricyclo[7.5.0.01,5]tetradeca-2,4,6,8,11,13-hexaene
SMILESC1=CC2=NC=CC23C=CN=CCC3=C1
InChIInChI=1S/C12H10N2/c1-2-10-4-7-13-8-5-12(10)6-9-14-11(12)3-1/h1-3,5-9H,4H2
InChIKeyGIOCRIHQWNAPGC-UHFFFAOYSA-N
XLogP2.43
TPSA24.72 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 ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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4,12-Diazatricyclo[7.5.0.01,5]tetradeca-2,4,6,8,10,12-hexaene
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Frequently Asked Questions

What is the IUPAC name of 4,12-diazatricyclo[7.5.0.01,5]tetradeca-2,4,6,8,11,13-hexaene?
The IUPAC name of 4,12-diazatricyclo[7.5.0.01,5]tetradeca-2,4,6,8,11,13-hexaene (CID 57157182) is 4,12-diazatricyclo[7.5.0.01,5]tetradeca-2,4,6,8,11,13-hexaene.
What is the SMILES notation for 4,12-diazatricyclo[7.5.0.01,5]tetradeca-2,4,6,8,11,13-hexaene?
The canonical SMILES for 4,12-diazatricyclo[7.5.0.01,5]tetradeca-2,4,6,8,11,13-hexaene is C1=CC2=NC=CC23C=CN=CCC3=C1.
What is the InChIKey of 4,12-diazatricyclo[7.5.0.01,5]tetradeca-2,4,6,8,11,13-hexaene?
The InChIKey is GIOCRIHQWNAPGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2/c1-2-10-4-7-13-8-5-12(10)6-9-14-11(12)3-1/h1-3,5-9H,4H2.
What are the key properties of 4,12-diazatricyclo[7.5.0.01,5]tetradeca-2,4,6,8,11,13-hexaene?
4,12-diazatricyclo[7.5.0.01,5]tetradeca-2,4,6,8,11,13-hexaene has a molecular weight of 182.23 g/mol, XLogP of 2.43, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,12-diazatricyclo[7.5.0.01,5]tetradeca-2,4,6,8,11,13-hexaene is sourced from PubChem (CID 57157182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).