4,7,10-triazatricyclo[8.4.0.03,7]tetradeca-1,3,5,8,11,13-hexaene

C11H9N3 — CID 141293433

IUPAC4,7,10-triazatricyclo[8.4.0.03,7]tetradeca-1,3,5,8,11,13-hexaene
SMILESC1=CC2=Cc3nccn3C=CN2C=C1
InChIInChI=1S/C11H9N3/c1-2-5-13-7-8-14-6-4-12-11(14)9-10(13)3-1/h1-9H
InChIKeyKBTUXGFETPAOFB-UHFFFAOYSA-N
MW183.21 g/mol
LogP2.05
Rot. Bonds

About 4,7,10-triazatricyclo[8.4.0.03,7]tetradeca-1,3,5,8,11,13-hexaene

4,7,10-triazatricyclo[8.4.0.03,7]tetradeca-1,3,5,8,11,13-hexaene (PubChem CID 141293433) has the molecular formula C11H9N3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 4,7,10-triazatricyclo[8.4.0.03,7]tetradeca-1,3,5,8,11,13-hexaene.

Molecular Properties

Compound Name4,7,10-triazatricyclo[8.4.0.03,7]tetradeca-1,3,5,8,11,13-hexaene
PubChem CID141293433
Molecular FormulaC11H9N3
Molecular Weight183.21 g/mol
Exact Mass183.08
IUPAC Name4,7,10-triazatricyclo[8.4.0.03,7]tetradeca-1,3,5,8,11,13-hexaene
SMILESC1=CC2=Cc3nccn3C=CN2C=C1
InChIInChI=1S/C11H9N3/c1-2-5-13-7-8-14-6-4-12-11(14)9-10(13)3-1/h1-9H
InChIKeyKBTUXGFETPAOFB-UHFFFAOYSA-N
XLogP2.05
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,7,10-triazatricyclo[8.4.0.03,7]tetradeca-1,3,5,8,11,13-hexaene?
The IUPAC name of 4,7,10-triazatricyclo[8.4.0.03,7]tetradeca-1,3,5,8,11,13-hexaene (CID 141293433) is 4,7,10-triazatricyclo[8.4.0.03,7]tetradeca-1,3,5,8,11,13-hexaene.
What is the SMILES notation for 4,7,10-triazatricyclo[8.4.0.03,7]tetradeca-1,3,5,8,11,13-hexaene?
The canonical SMILES for 4,7,10-triazatricyclo[8.4.0.03,7]tetradeca-1,3,5,8,11,13-hexaene is C1=CC2=Cc3nccn3C=CN2C=C1.
What is the InChIKey of 4,7,10-triazatricyclo[8.4.0.03,7]tetradeca-1,3,5,8,11,13-hexaene?
The InChIKey is KBTUXGFETPAOFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3/c1-2-5-13-7-8-14-6-4-12-11(14)9-10(13)3-1/h1-9H.
What are the key properties of 4,7,10-triazatricyclo[8.4.0.03,7]tetradeca-1,3,5,8,11,13-hexaene?
4,7,10-triazatricyclo[8.4.0.03,7]tetradeca-1,3,5,8,11,13-hexaene has a molecular weight of 183.21 g/mol, XLogP of 2.05, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7,10-triazatricyclo[8.4.0.03,7]tetradeca-1,3,5,8,11,13-hexaene is sourced from PubChem (CID 141293433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).