8,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),8,10,13,15-hexaene

C14H13N3 — CID 67854465

IUPAC8,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),8,10,13,15-hexaene
SMILESC1=NCC2=c3cnc4c(c3=NC2=C1)CCCC4
InChIInChI=1S/C14H13N3/c1-2-4-12-9(3-1)14-11(8-16-12)10-7-15-6-5-13(10)17-14/h5-6,8H,1-4,7H2
InChIKeyXWCIBDUTBSJQGH-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.71
Rot. Bonds

About 8,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),8,10,13,15-hexaene

8,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),8,10,13,15-hexaene (PubChem CID 67854465) has the molecular formula C14H13N3 and a molecular weight of 223.28 g/mol. Its IUPAC name is 8,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),8,10,13,15-hexaene.

Molecular Properties

Compound Name8,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),8,10,13,15-hexaene
PubChem CID67854465
Molecular FormulaC14H13N3
Molecular Weight223.28 g/mol
Exact Mass223.11
IUPAC Name8,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),8,10,13,15-hexaene
SMILESC1=NCC2=c3cnc4c(c3=NC2=C1)CCCC4
InChIInChI=1S/C14H13N3/c1-2-4-12-9(3-1)14-11(8-16-12)10-7-15-6-5-13(10)17-14/h5-6,8H,1-4,7H2
InChIKeyXWCIBDUTBSJQGH-UHFFFAOYSA-N
XLogP0.71
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),8,10,13,15-hexaene?
The IUPAC name of 8,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),8,10,13,15-hexaene (CID 67854465) is 8,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),8,10,13,15-hexaene.
What is the SMILES notation for 8,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),8,10,13,15-hexaene?
The canonical SMILES for 8,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),8,10,13,15-hexaene is C1=NCC2=c3cnc4c(c3=NC2=C1)CCCC4.
What is the InChIKey of 8,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),8,10,13,15-hexaene?
The InChIKey is XWCIBDUTBSJQGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3/c1-2-4-12-9(3-1)14-11(8-16-12)10-7-15-6-5-13(10)17-14/h5-6,8H,1-4,7H2.
What are the key properties of 8,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),8,10,13,15-hexaene?
8,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),8,10,13,15-hexaene has a molecular weight of 223.28 g/mol, XLogP of 0.71, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8,13,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),8,10,13,15-hexaene is sourced from PubChem (CID 67854465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).