7-selena-8,9,10-triazatricyclo[4.4.0.02,8]deca-1,3,5,9-tetraene

C6H3N3Se — CID 141004544

IUPAC7-selena-8,9,10-triazatricyclo[4.4.0.02,8]deca-1,3,5,9-tetraene
SMILESc1cc2c3nnn(c3c1)[Se]2
InChIInChI=1S/C6H3N3Se/c1-2-4-6-5(3-1)10-9(4)8-7-6/h1-3H
InChIKeyDTMOGOPSIODVBO-UHFFFAOYSA-N
MW196.07 g/mol
LogP-0.46
Rot. Bonds

About 7-selena-8,9,10-triazatricyclo[4.4.0.02,8]deca-1,3,5,9-tetraene

7-selena-8,9,10-triazatricyclo[4.4.0.02,8]deca-1,3,5,9-tetraene (PubChem CID 141004544) has the molecular formula C6H3N3Se and a molecular weight of 196.07 g/mol. Its IUPAC name is 7-selena-8,9,10-triazatricyclo[4.4.0.02,8]deca-1,3,5,9-tetraene.

Molecular Properties

Compound Name7-selena-8,9,10-triazatricyclo[4.4.0.02,8]deca-1,3,5,9-tetraene
PubChem CID141004544
Molecular FormulaC6H3N3Se
Molecular Weight196.07 g/mol
Exact Mass196.95
IUPAC Name7-selena-8,9,10-triazatricyclo[4.4.0.02,8]deca-1,3,5,9-tetraene
SMILESc1cc2c3nnn(c3c1)[Se]2
InChIInChI=1S/C6H3N3Se/c1-2-4-6-5(3-1)10-9(4)8-7-6/h1-3H
InChIKeyDTMOGOPSIODVBO-UHFFFAOYSA-N
XLogP-0.46
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.07
LogP ≤ 5-0.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-selena-8,9,10-triazatricyclo[4.4.0.02,8]deca-1,3,5,9-tetraene?
The IUPAC name of 7-selena-8,9,10-triazatricyclo[4.4.0.02,8]deca-1,3,5,9-tetraene (CID 141004544) is 7-selena-8,9,10-triazatricyclo[4.4.0.02,8]deca-1,3,5,9-tetraene.
What is the SMILES notation for 7-selena-8,9,10-triazatricyclo[4.4.0.02,8]deca-1,3,5,9-tetraene?
The canonical SMILES for 7-selena-8,9,10-triazatricyclo[4.4.0.02,8]deca-1,3,5,9-tetraene is c1cc2c3nnn(c3c1)[Se]2.
What is the InChIKey of 7-selena-8,9,10-triazatricyclo[4.4.0.02,8]deca-1,3,5,9-tetraene?
The InChIKey is DTMOGOPSIODVBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3N3Se/c1-2-4-6-5(3-1)10-9(4)8-7-6/h1-3H.
What are the key properties of 7-selena-8,9,10-triazatricyclo[4.4.0.02,8]deca-1,3,5,9-tetraene?
7-selena-8,9,10-triazatricyclo[4.4.0.02,8]deca-1,3,5,9-tetraene has a molecular weight of 196.07 g/mol, XLogP of -0.46, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-selena-8,9,10-triazatricyclo[4.4.0.02,8]deca-1,3,5,9-tetraene is sourced from PubChem (CID 141004544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).