4,8,11-triazatricyclo[7.4.0.02,7]trideca-1,3,5,7,9,11-hexaene

C10H7N3 — CID 68522367

IUPAC4,8,11-triazatricyclo[7.4.0.02,7]trideca-1,3,5,7,9,11-hexaene
SMILESC1=NC=C2N=c3ccncc3=C2C1
InChIInChI=1S/C10H7N3/c1-3-12-6-10-7(1)8-5-11-4-2-9(8)13-10/h2-6H,1H2
InChIKeyCQJBFZFNLGUEBD-UHFFFAOYSA-N
MW169.19 g/mol
LogP0.18
Rot. Bonds

About 4,8,11-triazatricyclo[7.4.0.02,7]trideca-1,3,5,7,9,11-hexaene

4,8,11-triazatricyclo[7.4.0.02,7]trideca-1,3,5,7,9,11-hexaene (PubChem CID 68522367) has the molecular formula C10H7N3 and a molecular weight of 169.19 g/mol. Its IUPAC name is 4,8,11-triazatricyclo[7.4.0.02,7]trideca-1,3,5,7,9,11-hexaene.

Molecular Properties

Compound Name4,8,11-triazatricyclo[7.4.0.02,7]trideca-1,3,5,7,9,11-hexaene
PubChem CID68522367
Molecular FormulaC10H7N3
Molecular Weight169.19 g/mol
Exact Mass169.06
IUPAC Name4,8,11-triazatricyclo[7.4.0.02,7]trideca-1,3,5,7,9,11-hexaene
SMILESC1=NC=C2N=c3ccncc3=C2C1
InChIInChI=1S/C10H7N3/c1-3-12-6-10-7(1)8-5-11-4-2-9(8)13-10/h2-6H,1H2
InChIKeyCQJBFZFNLGUEBD-UHFFFAOYSA-N
XLogP0.18
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.19
LogP ≤ 50.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,8,11-triazatricyclo[7.4.0.02,7]trideca-1,3,5,7,9,11-hexaene?
The IUPAC name of 4,8,11-triazatricyclo[7.4.0.02,7]trideca-1,3,5,7,9,11-hexaene (CID 68522367) is 4,8,11-triazatricyclo[7.4.0.02,7]trideca-1,3,5,7,9,11-hexaene.
What is the SMILES notation for 4,8,11-triazatricyclo[7.4.0.02,7]trideca-1,3,5,7,9,11-hexaene?
The canonical SMILES for 4,8,11-triazatricyclo[7.4.0.02,7]trideca-1,3,5,7,9,11-hexaene is C1=NC=C2N=c3ccncc3=C2C1.
What is the InChIKey of 4,8,11-triazatricyclo[7.4.0.02,7]trideca-1,3,5,7,9,11-hexaene?
The InChIKey is CQJBFZFNLGUEBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3/c1-3-12-6-10-7(1)8-5-11-4-2-9(8)13-10/h2-6H,1H2.
What are the key properties of 4,8,11-triazatricyclo[7.4.0.02,7]trideca-1,3,5,7,9,11-hexaene?
4,8,11-triazatricyclo[7.4.0.02,7]trideca-1,3,5,7,9,11-hexaene has a molecular weight of 169.19 g/mol, XLogP of 0.18, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8,11-triazatricyclo[7.4.0.02,7]trideca-1,3,5,7,9,11-hexaene is sourced from PubChem (CID 68522367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).