5,9,15-triazatetracyclo[11.3.1.02,12.04,10]heptadeca-1(16),2,4,6,8,10,12,14-octaene

C14H9N3 — CID 69142824

IUPAC5,9,15-triazatetracyclo[11.3.1.02,12.04,10]heptadeca-1(16),2,4,6,8,10,12,14-octaene
SMILESC1=CN=c2cc3c(cc2N=C1)=C1C=NC=C3C1
InChIInChI=1S/C14H9N3/c1-2-16-13-5-11-9-4-10(8-15-7-9)12(11)6-14(13)17-3-1/h1-3,5-8H,4H2
InChIKeyIMXNPDADQFTXOP-UHFFFAOYSA-N
MW219.25 g/mol
LogP1.52
Rot. Bonds

About 5,9,15-triazatetracyclo[11.3.1.02,12.04,10]heptadeca-1(16),2,4,6,8,10,12,14-octaene

5,9,15-triazatetracyclo[11.3.1.02,12.04,10]heptadeca-1(16),2,4,6,8,10,12,14-octaene (PubChem CID 69142824) has the molecular formula C14H9N3 and a molecular weight of 219.25 g/mol. Its IUPAC name is 5,9,15-triazatetracyclo[11.3.1.02,12.04,10]heptadeca-1(16),2,4,6,8,10,12,14-octaene.

Molecular Properties

Compound Name5,9,15-triazatetracyclo[11.3.1.02,12.04,10]heptadeca-1(16),2,4,6,8,10,12,14-octaene
PubChem CID69142824
Molecular FormulaC14H9N3
Molecular Weight219.25 g/mol
Exact Mass219.08
IUPAC Name5,9,15-triazatetracyclo[11.3.1.02,12.04,10]heptadeca-1(16),2,4,6,8,10,12,14-octaene
SMILESC1=CN=c2cc3c(cc2N=C1)=C1C=NC=C3C1
InChIInChI=1S/C14H9N3/c1-2-16-13-5-11-9-4-10(8-15-7-9)12(11)6-14(13)17-3-1/h1-3,5-8H,4H2
InChIKeyIMXNPDADQFTXOP-UHFFFAOYSA-N
XLogP1.52
TPSA37.08 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,9,15-triazatetracyclo[11.3.1.02,12.04,10]heptadeca-1(16),2,4,6,8,10,12,14-octaene?
The IUPAC name of 5,9,15-triazatetracyclo[11.3.1.02,12.04,10]heptadeca-1(16),2,4,6,8,10,12,14-octaene (CID 69142824) is 5,9,15-triazatetracyclo[11.3.1.02,12.04,10]heptadeca-1(16),2,4,6,8,10,12,14-octaene.
What is the SMILES notation for 5,9,15-triazatetracyclo[11.3.1.02,12.04,10]heptadeca-1(16),2,4,6,8,10,12,14-octaene?
The canonical SMILES for 5,9,15-triazatetracyclo[11.3.1.02,12.04,10]heptadeca-1(16),2,4,6,8,10,12,14-octaene is C1=CN=c2cc3c(cc2N=C1)=C1C=NC=C3C1.
What is the InChIKey of 5,9,15-triazatetracyclo[11.3.1.02,12.04,10]heptadeca-1(16),2,4,6,8,10,12,14-octaene?
The InChIKey is IMXNPDADQFTXOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3/c1-2-16-13-5-11-9-4-10(8-15-7-9)12(11)6-14(13)17-3-1/h1-3,5-8H,4H2.
What are the key properties of 5,9,15-triazatetracyclo[11.3.1.02,12.04,10]heptadeca-1(16),2,4,6,8,10,12,14-octaene?
5,9,15-triazatetracyclo[11.3.1.02,12.04,10]heptadeca-1(16),2,4,6,8,10,12,14-octaene has a molecular weight of 219.25 g/mol, XLogP of 1.52, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,9,15-triazatetracyclo[11.3.1.02,12.04,10]heptadeca-1(16),2,4,6,8,10,12,14-octaene is sourced from PubChem (CID 69142824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).