1,8-diazatricyclo[5.4.0.02,4]undeca-2(4),5,7,9-tetraene

C9H8N2 — CID 154412767

IUPAC1,8-diazatricyclo[5.4.0.02,4]undeca-2(4),5,7,9-tetraene
SMILESC1=CN=C2C=CC3=C(C3)N2C1
InChIInChI=1S/C9H8N2/c1-4-10-9-3-2-7-6-8(7)11(9)5-1/h1-4H,5-6H2
InChIKeyCWNWILSSNJGGAK-UHFFFAOYSA-N
MW144.18 g/mol
LogP1.44
Rot. Bonds

About 1,8-diazatricyclo[5.4.0.02,4]undeca-2(4),5,7,9-tetraene

1,8-diazatricyclo[5.4.0.02,4]undeca-2(4),5,7,9-tetraene (PubChem CID 154412767) has the molecular formula C9H8N2 and a molecular weight of 144.18 g/mol. Its IUPAC name is 1,8-diazatricyclo[5.4.0.02,4]undeca-2(4),5,7,9-tetraene.

Molecular Properties

Compound Name1,8-diazatricyclo[5.4.0.02,4]undeca-2(4),5,7,9-tetraene
PubChem CID154412767
Molecular FormulaC9H8N2
Molecular Weight144.18 g/mol
Exact Mass144.07
IUPAC Name1,8-diazatricyclo[5.4.0.02,4]undeca-2(4),5,7,9-tetraene
SMILESC1=CN=C2C=CC3=C(C3)N2C1
InChIInChI=1S/C9H8N2/c1-4-10-9-3-2-7-6-8(7)11(9)5-1/h1-4H,5-6H2
InChIKeyCWNWILSSNJGGAK-UHFFFAOYSA-N
XLogP1.44
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.18
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,8-diazatricyclo[5.4.0.02,4]undeca-2(4),5,7,9-tetraene?
The IUPAC name of 1,8-diazatricyclo[5.4.0.02,4]undeca-2(4),5,7,9-tetraene (CID 154412767) is 1,8-diazatricyclo[5.4.0.02,4]undeca-2(4),5,7,9-tetraene.
What is the SMILES notation for 1,8-diazatricyclo[5.4.0.02,4]undeca-2(4),5,7,9-tetraene?
The canonical SMILES for 1,8-diazatricyclo[5.4.0.02,4]undeca-2(4),5,7,9-tetraene is C1=CN=C2C=CC3=C(C3)N2C1.
What is the InChIKey of 1,8-diazatricyclo[5.4.0.02,4]undeca-2(4),5,7,9-tetraene?
The InChIKey is CWNWILSSNJGGAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2/c1-4-10-9-3-2-7-6-8(7)11(9)5-1/h1-4H,5-6H2.
What are the key properties of 1,8-diazatricyclo[5.4.0.02,4]undeca-2(4),5,7,9-tetraene?
1,8-diazatricyclo[5.4.0.02,4]undeca-2(4),5,7,9-tetraene has a molecular weight of 144.18 g/mol, XLogP of 1.44, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-diazatricyclo[5.4.0.02,4]undeca-2(4),5,7,9-tetraene is sourced from PubChem (CID 154412767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).