6,11,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),3,5,8,11,13,15-octaene

C14H9N3 — CID 13114342

IUPAC6,11,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),3,5,8,11,13,15-octaene
SMILESc1cnc2ccc3ncc4cccn4c3c2c1
InChIInChI=1S/C14H9N3/c1-4-11-12(15-7-1)5-6-13-14(11)17-8-2-3-10(17)9-16-13/h1-9H
InChIKeyUWXYAJGVNFZISF-UHFFFAOYSA-N
MW219.25 g/mol
LogP3.04
Rot. Bonds

About 6,11,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),3,5,8,11,13,15-octaene

6,11,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),3,5,8,11,13,15-octaene (PubChem CID 13114342) has the molecular formula C14H9N3 and a molecular weight of 219.25 g/mol. Its IUPAC name is 6,11,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),3,5,8,11,13,15-octaene.

Molecular Properties

Compound Name6,11,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),3,5,8,11,13,15-octaene
PubChem CID13114342
Molecular FormulaC14H9N3
Molecular Weight219.25 g/mol
Exact Mass219.08
IUPAC Name6,11,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),3,5,8,11,13,15-octaene
SMILESc1cnc2ccc3ncc4cccn4c3c2c1
InChIInChI=1S/C14H9N3/c1-4-11-12(15-7-1)5-6-13-14(11)17-8-2-3-10(17)9-16-13/h1-9H
InChIKeyUWXYAJGVNFZISF-UHFFFAOYSA-N
XLogP3.04
TPSA30.19 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 ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

12-piperazin-1-yl-6,11,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),3,5,8,11,13,15-octaene
CID 101104667
12-(4-prop-2-enylpiperazin-1-yl)-6,11,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),3,5,8,11,13,15-octaene
CID 10569395
2-chloropyrido[3,2-f]quinoxaline
CID 129033345
pyrido[2,3-h][1,4]benzoxazin-2-one
CID 141055478
pyrido[2,3-c][1,5]naphthyridine
CID 44631737
5-iodo-1,7-naphthyridine
CID 126647714
1,7-phenanthroline;vanadium
CID 174318955
1,7-phenanthroline;dihydrochloride
CID 174688507
1,2,3,4-tetrahydropyrrolo[2,1-h]pteridine
CID 67260942
3-phenylpyrido[2,3-h][1,2,4]benzotriazine
CID 10988953
1-hydroxy-3-methyl-2H-imidazo[4,5-f]quinolin-2-amine
CID 22023709
1-methylpyrazolo[4,5-c]quinoline
CID 150046130

Frequently Asked Questions

What is the IUPAC name of 6,11,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),3,5,8,11,13,15-octaene?
The IUPAC name of 6,11,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),3,5,8,11,13,15-octaene (CID 13114342) is 6,11,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),3,5,8,11,13,15-octaene.
What is the SMILES notation for 6,11,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),3,5,8,11,13,15-octaene?
The canonical SMILES for 6,11,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),3,5,8,11,13,15-octaene is c1cnc2ccc3ncc4cccn4c3c2c1.
What is the InChIKey of 6,11,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),3,5,8,11,13,15-octaene?
The InChIKey is UWXYAJGVNFZISF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3/c1-4-11-12(15-7-1)5-6-13-14(11)17-8-2-3-10(17)9-16-13/h1-9H.
What are the key properties of 6,11,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),3,5,8,11,13,15-octaene?
6,11,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),3,5,8,11,13,15-octaene has a molecular weight of 219.25 g/mol, XLogP of 3.04, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,11,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),3,5,8,11,13,15-octaene is sourced from PubChem (CID 13114342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).