6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,10-pentaene

C10H8N2 — CID 13139159

IUPAC6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,10-pentaene
SMILESc1cc2c3cccn3ccn2c1
InChIInChI=1S/C10H8N2/c1-3-9-10-4-2-6-12(10)8-7-11(9)5-1/h1-8H
InChIKeyHONFRAYCCYDYSP-UHFFFAOYSA-N
MW156.19 g/mol
LogP2.19
Rot. Bonds

About 6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,10-pentaene

6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,10-pentaene (PubChem CID 13139159) has the molecular formula C10H8N2 and a molecular weight of 156.19 g/mol. Its IUPAC name is 6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,10-pentaene.

Molecular Properties

Compound Name6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,10-pentaene
PubChem CID13139159
Molecular FormulaC10H8N2
Molecular Weight156.19 g/mol
Exact Mass156.07
IUPAC Name6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,10-pentaene
SMILESc1cc2c3cccn3ccn2c1
InChIInChI=1S/C10H8N2/c1-3-9-10-4-2-6-12(10)8-7-11(9)5-1/h1-8H
InChIKeyHONFRAYCCYDYSP-UHFFFAOYSA-N
XLogP2.19
TPSA8.82 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 ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,10-pentaene?
The IUPAC name of 6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,10-pentaene (CID 13139159) is 6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,10-pentaene.
What is the SMILES notation for 6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,10-pentaene?
The canonical SMILES for 6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,10-pentaene is c1cc2c3cccn3ccn2c1.
What is the InChIKey of 6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,10-pentaene?
The InChIKey is HONFRAYCCYDYSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2/c1-3-9-10-4-2-6-12(10)8-7-11(9)5-1/h1-8H.
What are the key properties of 6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,10-pentaene?
6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,10-pentaene has a molecular weight of 156.19 g/mol, XLogP of 2.19, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,9-diazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,10-pentaene is sourced from PubChem (CID 13139159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).