11-(furan-3-yl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

C14H9N3O — CID 122446243

IUPAC11-(furan-3-yl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESc1cc2[nH]c3nc(-c4ccoc4)ccc3c2cn1
InChIInChI=1S/C14H9N3O/c1-2-12(9-4-6-18-8-9)16-14-10(1)11-7-15-5-3-13(11)17-14/h1-8H,(H,16,17)
InChIKeyFZUMSWFGAAUPEI-UHFFFAOYSA-N
MW235.25 g/mol
LogP3.37
Rot. Bonds1

About 11-(furan-3-yl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

11-(furan-3-yl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (PubChem CID 122446243) has the molecular formula C14H9N3O and a molecular weight of 235.25 g/mol. Its IUPAC name is 11-(furan-3-yl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.

Molecular Properties

Compound Name11-(furan-3-yl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
PubChem CID122446243
Molecular FormulaC14H9N3O
Molecular Weight235.25 g/mol
Exact Mass235.07
IUPAC Name11-(furan-3-yl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESc1cc2[nH]c3nc(-c4ccoc4)ccc3c2cn1
InChIInChI=1S/C14H9N3O/c1-2-12(9-4-6-18-8-9)16-14-10(1)11-7-15-5-3-13(11)17-14/h1-8H,(H,16,17)
InChIKeyFZUMSWFGAAUPEI-UHFFFAOYSA-N
XLogP3.37
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 11-(furan-3-yl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The IUPAC name of 11-(furan-3-yl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (CID 122446243) is 11-(furan-3-yl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.
What is the SMILES notation for 11-(furan-3-yl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The canonical SMILES for 11-(furan-3-yl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is c1cc2[nH]c3nc(-c4ccoc4)ccc3c2cn1.
What is the InChIKey of 11-(furan-3-yl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The InChIKey is FZUMSWFGAAUPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3O/c1-2-12(9-4-6-18-8-9)16-14-10(1)11-7-15-5-3-13(11)17-14/h1-8H,(H,16,17).
What are the key properties of 11-(furan-3-yl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
11-(furan-3-yl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene has a molecular weight of 235.25 g/mol, XLogP of 3.37, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(furan-3-yl)-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is sourced from PubChem (CID 122446243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).