7,10-diazatricyclo[8.4.0.02,7]tetradeca-1,3,5,8,11,13-hexaene

C12H10N2 — CID 14553

IUPAC7,10-diazatricyclo[8.4.0.02,7]tetradeca-1,3,5,8,11,13-hexaene
SMILESC1=CC2=C3C=CC=CN3C=CN2C=C1
InChIInChI=1S/C12H10N2/c1-3-7-13-9-10-14-8-4-2-6-12(14)11(13)5-1/h1-10H
InChIKeyMSDXGKHMUSAIHM-UHFFFAOYSA-N
MW182.23 g/mol
LogP2.45
Rot. Bonds

About 7,10-diazatricyclo[8.4.0.02,7]tetradeca-1,3,5,8,11,13-hexaene

7,10-diazatricyclo[8.4.0.02,7]tetradeca-1,3,5,8,11,13-hexaene (PubChem CID 14553) has the molecular formula C12H10N2 and a molecular weight of 182.23 g/mol. Its IUPAC name is 7,10-diazatricyclo[8.4.0.02,7]tetradeca-1,3,5,8,11,13-hexaene.

Molecular Properties

Compound Name7,10-diazatricyclo[8.4.0.02,7]tetradeca-1,3,5,8,11,13-hexaene
PubChem CID14553
Molecular FormulaC12H10N2
Molecular Weight182.23 g/mol
Exact Mass182.08
IUPAC Name7,10-diazatricyclo[8.4.0.02,7]tetradeca-1,3,5,8,11,13-hexaene
SMILESC1=CC2=C3C=CC=CN3C=CN2C=C1
InChIInChI=1S/C12H10N2/c1-3-7-13-9-10-14-8-4-2-6-12(14)11(13)5-1/h1-10H
InChIKeyMSDXGKHMUSAIHM-UHFFFAOYSA-N
XLogP2.45
TPSA6.48 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 ≤ 52.45
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-1,3,5,8,11,13-hexaene?
The IUPAC name of 7,10-diazatricyclo[8.4.0.02,7]tetradeca-1,3,5,8,11,13-hexaene (CID 14553) is 7,10-diazatricyclo[8.4.0.02,7]tetradeca-1,3,5,8,11,13-hexaene.
What is the SMILES notation for 7,10-diazatricyclo[8.4.0.02,7]tetradeca-1,3,5,8,11,13-hexaene?
The canonical SMILES for 7,10-diazatricyclo[8.4.0.02,7]tetradeca-1,3,5,8,11,13-hexaene is C1=CC2=C3C=CC=CN3C=CN2C=C1.
What is the InChIKey of 7,10-diazatricyclo[8.4.0.02,7]tetradeca-1,3,5,8,11,13-hexaene?
The InChIKey is MSDXGKHMUSAIHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2/c1-3-7-13-9-10-14-8-4-2-6-12(14)11(13)5-1/h1-10H.
What are the key properties of 7,10-diazatricyclo[8.4.0.02,7]tetradeca-1,3,5,8,11,13-hexaene?
7,10-diazatricyclo[8.4.0.02,7]tetradeca-1,3,5,8,11,13-hexaene has a molecular weight of 182.23 g/mol, XLogP of 2.45, 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-1,3,5,8,11,13-hexaene is sourced from PubChem (CID 14553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).