7,10-diazatricyclo[8.4.0.02,7]tetradeca-1,3,5,11,13-pentaene

C12H12N2 — CID 14475245

IUPAC7,10-diazatricyclo[8.4.0.02,7]tetradeca-1,3,5,11,13-pentaene
SMILESC1=CC2=C3C=CC=CN3CCN2C=C1
InChIInChI=1S/C12H12N2/c1-3-7-13-9-10-14-8-4-2-6-12(14)11(13)5-1/h1-8H,9-10H2
InChIKeyODWHOGPXACKTCJ-UHFFFAOYSA-N
MW184.24 g/mol
LogP1.98
Rot. Bonds

About 7,10-diazatricyclo[8.4.0.02,7]tetradeca-1,3,5,11,13-pentaene

7,10-diazatricyclo[8.4.0.02,7]tetradeca-1,3,5,11,13-pentaene (PubChem CID 14475245) has the molecular formula C12H12N2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 7,10-diazatricyclo[8.4.0.02,7]tetradeca-1,3,5,11,13-pentaene.

Molecular Properties

Compound Name7,10-diazatricyclo[8.4.0.02,7]tetradeca-1,3,5,11,13-pentaene
PubChem CID14475245
Molecular FormulaC12H12N2
Molecular Weight184.24 g/mol
Exact Mass184.10
IUPAC Name7,10-diazatricyclo[8.4.0.02,7]tetradeca-1,3,5,11,13-pentaene
SMILESC1=CC2=C3C=CC=CN3CCN2C=C1
InChIInChI=1S/C12H12N2/c1-3-7-13-9-10-14-8-4-2-6-12(14)11(13)5-1/h1-8H,9-10H2
InChIKeyODWHOGPXACKTCJ-UHFFFAOYSA-N
XLogP1.98
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7,10-diazatricyclo[8.4.0.02,7]tetradeca-1,3,5,11,13-pentaene?
The IUPAC name of 7,10-diazatricyclo[8.4.0.02,7]tetradeca-1,3,5,11,13-pentaene (CID 14475245) is 7,10-diazatricyclo[8.4.0.02,7]tetradeca-1,3,5,11,13-pentaene.
What is the SMILES notation for 7,10-diazatricyclo[8.4.0.02,7]tetradeca-1,3,5,11,13-pentaene?
The canonical SMILES for 7,10-diazatricyclo[8.4.0.02,7]tetradeca-1,3,5,11,13-pentaene is C1=CC2=C3C=CC=CN3CCN2C=C1.
What is the InChIKey of 7,10-diazatricyclo[8.4.0.02,7]tetradeca-1,3,5,11,13-pentaene?
The InChIKey is ODWHOGPXACKTCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2/c1-3-7-13-9-10-14-8-4-2-6-12(14)11(13)5-1/h1-8H,9-10H2.
What are the key properties of 7,10-diazatricyclo[8.4.0.02,7]tetradeca-1,3,5,11,13-pentaene?
7,10-diazatricyclo[8.4.0.02,7]tetradeca-1,3,5,11,13-pentaene has a molecular weight of 184.24 g/mol, XLogP of 1.98, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,10-diazatricyclo[8.4.0.02,7]tetradeca-1,3,5,11,13-pentaene is sourced from PubChem (CID 14475245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).