7,9-diazatricyclo[4.3.0.02,4]nona-1,3,5,8-tetraene

C7H4N2 — CID 57358712

IUPAC7,9-diazatricyclo[4.3.0.02,4]nona-1,3,5,8-tetraene
SMILESc1nc2c3cc-3cc2[nH]1
InChIInChI=1S/C7H4N2/c1-4-2-6-7(5(1)4)9-3-8-6/h1-3H,(H,8,9)
InChIKeyZNQFXBINCVPRQJ-UHFFFAOYSA-N
MW116.12 g/mol
LogP1.54
Rot. Bonds

About 7,9-diazatricyclo[4.3.0.02,4]nona-1,3,5,8-tetraene

7,9-diazatricyclo[4.3.0.02,4]nona-1,3,5,8-tetraene (PubChem CID 57358712) has the molecular formula C7H4N2 and a molecular weight of 116.12 g/mol. Its IUPAC name is 7,9-diazatricyclo[4.3.0.02,4]nona-1,3,5,8-tetraene.

Molecular Properties

Compound Name7,9-diazatricyclo[4.3.0.02,4]nona-1,3,5,8-tetraene
PubChem CID57358712
Molecular FormulaC7H4N2
Molecular Weight116.12 g/mol
Exact Mass116.04
IUPAC Name7,9-diazatricyclo[4.3.0.02,4]nona-1,3,5,8-tetraene
SMILESc1nc2c3cc-3cc2[nH]1
InChIInChI=1S/C7H4N2/c1-4-2-6-7(5(1)4)9-3-8-6/h1-3H,(H,8,9)
InChIKeyZNQFXBINCVPRQJ-UHFFFAOYSA-N
XLogP1.54
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.12
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7,9-diazatricyclo[4.3.0.02,4]nona-1,3,5,8-tetraene?
The IUPAC name of 7,9-diazatricyclo[4.3.0.02,4]nona-1,3,5,8-tetraene (CID 57358712) is 7,9-diazatricyclo[4.3.0.02,4]nona-1,3,5,8-tetraene.
What is the SMILES notation for 7,9-diazatricyclo[4.3.0.02,4]nona-1,3,5,8-tetraene?
The canonical SMILES for 7,9-diazatricyclo[4.3.0.02,4]nona-1,3,5,8-tetraene is c1nc2c3cc-3cc2[nH]1.
What is the InChIKey of 7,9-diazatricyclo[4.3.0.02,4]nona-1,3,5,8-tetraene?
The InChIKey is ZNQFXBINCVPRQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4N2/c1-4-2-6-7(5(1)4)9-3-8-6/h1-3H,(H,8,9).
What are the key properties of 7,9-diazatricyclo[4.3.0.02,4]nona-1,3,5,8-tetraene?
7,9-diazatricyclo[4.3.0.02,4]nona-1,3,5,8-tetraene has a molecular weight of 116.12 g/mol, XLogP of 1.54, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,9-diazatricyclo[4.3.0.02,4]nona-1,3,5,8-tetraene is sourced from PubChem (CID 57358712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).