2,5-diazatricyclo[4.3.0.07,9]nona-1,3,5-triene

C7H6N2 — CID 90971320

IUPAC2,5-diazatricyclo[4.3.0.07,9]nona-1,3,5-triene
SMILESc1cnc2c(n1)C1CC21
InChIInChI=1S/C7H6N2/c1-2-9-7-5-3-4(5)6(7)8-1/h1-2,4-5H,3H2
InChIKeyBEYWABCBCQDIEB-UHFFFAOYSA-N
MW118.14 g/mol
LogP1.06
Rot. Bonds

About 2,5-diazatricyclo[4.3.0.07,9]nona-1,3,5-triene

2,5-diazatricyclo[4.3.0.07,9]nona-1,3,5-triene (PubChem CID 90971320) has the molecular formula C7H6N2 and a molecular weight of 118.14 g/mol. Its IUPAC name is 2,5-diazatricyclo[4.3.0.07,9]nona-1,3,5-triene.

Molecular Properties

Compound Name2,5-diazatricyclo[4.3.0.07,9]nona-1,3,5-triene
PubChem CID90971320
Molecular FormulaC7H6N2
Molecular Weight118.14 g/mol
Exact Mass118.05
IUPAC Name2,5-diazatricyclo[4.3.0.07,9]nona-1,3,5-triene
SMILESc1cnc2c(n1)C1CC21
InChIInChI=1S/C7H6N2/c1-2-9-7-5-3-4(5)6(7)8-1/h1-2,4-5H,3H2
InChIKeyBEYWABCBCQDIEB-UHFFFAOYSA-N
XLogP1.06
TPSA25.78 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 ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-diazatricyclo[4.3.0.07,9]nona-1,3,5-triene?
The IUPAC name of 2,5-diazatricyclo[4.3.0.07,9]nona-1,3,5-triene (CID 90971320) is 2,5-diazatricyclo[4.3.0.07,9]nona-1,3,5-triene.
What is the SMILES notation for 2,5-diazatricyclo[4.3.0.07,9]nona-1,3,5-triene?
The canonical SMILES for 2,5-diazatricyclo[4.3.0.07,9]nona-1,3,5-triene is c1cnc2c(n1)C1CC21.
What is the InChIKey of 2,5-diazatricyclo[4.3.0.07,9]nona-1,3,5-triene?
The InChIKey is BEYWABCBCQDIEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2/c1-2-9-7-5-3-4(5)6(7)8-1/h1-2,4-5H,3H2.
What are the key properties of 2,5-diazatricyclo[4.3.0.07,9]nona-1,3,5-triene?
2,5-diazatricyclo[4.3.0.07,9]nona-1,3,5-triene has a molecular weight of 118.14 g/mol, XLogP of 1.06, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diazatricyclo[4.3.0.07,9]nona-1,3,5-triene is sourced from PubChem (CID 90971320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).