5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene

C10H8N2 — CID 59145871

IUPAC5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
SMILESC1=Cc2c(ccn3nccc23)C1
InChIInChI=1S/C10H8N2/c1-2-8-5-7-12-10(4-6-11-12)9(8)3-1/h1,3-7H,2H2
InChIKeyKXDYOBHIMMTDOY-UHFFFAOYSA-N
MW156.19 g/mol
LogP1.90
Rot. Bonds

About 5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene

5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene (PubChem CID 59145871) has the molecular formula C10H8N2 and a molecular weight of 156.19 g/mol. Its IUPAC name is 5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene.

Molecular Properties

Compound Name5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
PubChem CID59145871
Molecular FormulaC10H8N2
Molecular Weight156.19 g/mol
Exact Mass156.07
IUPAC Name5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
SMILESC1=Cc2c(ccn3nccc23)C1
InChIInChI=1S/C10H8N2/c1-2-8-5-7-12-10(4-6-11-12)9(8)3-1/h1,3-7H,2H2
InChIKeyKXDYOBHIMMTDOY-UHFFFAOYSA-N
XLogP1.90
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
The IUPAC name of 5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene (CID 59145871) is 5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene.
What is the SMILES notation for 5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
The canonical SMILES for 5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene is C1=Cc2c(ccn3nccc23)C1.
What is the InChIKey of 5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
The InChIKey is KXDYOBHIMMTDOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2/c1-2-8-5-7-12-10(4-6-11-12)9(8)3-1/h1,3-7H,2H2.
What are the key properties of 5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene has a molecular weight of 156.19 g/mol, XLogP of 1.90, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene is sourced from PubChem (CID 59145871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).