7,9-diazatricyclo[4.3.0.07,9]nona-1,3,5-triene

C7H6N2 — CID 23512794

IUPAC7,9-diazatricyclo[4.3.0.07,9]nona-1,3,5-triene
SMILESc1ccc2c(c1)n1n2C1
InChIInChI=1S/C7H6N2/c1-2-4-7-6(3-1)8-5-9(7)8/h1-4H,5H2
InChIKeyYVQHAXQIEXCCLX-UHFFFAOYSA-N
MW118.14 g/mol
LogP1.26
Rot. Bonds

About 7,9-diazatricyclo[4.3.0.07,9]nona-1,3,5-triene

7,9-diazatricyclo[4.3.0.07,9]nona-1,3,5-triene (PubChem CID 23512794) has the molecular formula C7H6N2 and a molecular weight of 118.14 g/mol. Its IUPAC name is 7,9-diazatricyclo[4.3.0.07,9]nona-1,3,5-triene.

Molecular Properties

Compound Name7,9-diazatricyclo[4.3.0.07,9]nona-1,3,5-triene
PubChem CID23512794
Molecular FormulaC7H6N2
Molecular Weight118.14 g/mol
Exact Mass118.05
IUPAC Name7,9-diazatricyclo[4.3.0.07,9]nona-1,3,5-triene
SMILESc1ccc2c(c1)n1n2C1
InChIInChI=1S/C7H6N2/c1-2-4-7-6(3-1)8-5-9(7)8/h1-4H,5H2
InChIKeyYVQHAXQIEXCCLX-UHFFFAOYSA-N
XLogP1.26
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.14
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7,9-diazatricyclo[4.3.0.07,9]nona-1,3,5-triene?
The IUPAC name of 7,9-diazatricyclo[4.3.0.07,9]nona-1,3,5-triene (CID 23512794) is 7,9-diazatricyclo[4.3.0.07,9]nona-1,3,5-triene.
What is the SMILES notation for 7,9-diazatricyclo[4.3.0.07,9]nona-1,3,5-triene?
The canonical SMILES for 7,9-diazatricyclo[4.3.0.07,9]nona-1,3,5-triene is c1ccc2c(c1)n1n2C1.
What is the InChIKey of 7,9-diazatricyclo[4.3.0.07,9]nona-1,3,5-triene?
The InChIKey is YVQHAXQIEXCCLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2/c1-2-4-7-6(3-1)8-5-9(7)8/h1-4H,5H2.
What are the key properties of 7,9-diazatricyclo[4.3.0.07,9]nona-1,3,5-triene?
7,9-diazatricyclo[4.3.0.07,9]nona-1,3,5-triene has a molecular weight of 118.14 g/mol, XLogP of 1.26, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,9-diazatricyclo[4.3.0.07,9]nona-1,3,5-triene is sourced from PubChem (CID 23512794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).