12,16,17-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9,11,13,15-octaene

C14H9N3 — CID 135082282

IUPAC12,16,17-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9,11,13,15-octaene
SMILESC1=NC2=CC=NC3=c4ccccc4=CC(=C1)N23
InChIInChI=1S/C14H9N3/c1-2-4-12-10(3-1)9-11-5-7-15-13-6-8-16-14(12)17(11)13/h1-9H
InChIKeyZBHSWZMHAAHCLY-UHFFFAOYSA-N
MW219.25 g/mol
LogP0.74
Rot. Bonds

About 12,16,17-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9,11,13,15-octaene

12,16,17-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9,11,13,15-octaene (PubChem CID 135082282) has the molecular formula C14H9N3 and a molecular weight of 219.25 g/mol. Its IUPAC name is 12,16,17-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9,11,13,15-octaene.

Molecular Properties

Compound Name12,16,17-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9,11,13,15-octaene
PubChem CID135082282
Molecular FormulaC14H9N3
Molecular Weight219.25 g/mol
Exact Mass219.08
IUPAC Name12,16,17-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9,11,13,15-octaene
SMILESC1=NC2=CC=NC3=c4ccccc4=CC(=C1)N23
InChIInChI=1S/C14H9N3/c1-2-4-12-10(3-1)9-11-5-7-15-13-6-8-16-14(12)17(11)13/h1-9H
InChIKeyZBHSWZMHAAHCLY-UHFFFAOYSA-N
XLogP0.74
TPSA27.96 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 ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 12,16,17-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9,11,13,15-octaene with MolForge

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Related Compounds

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9H-pyrimido[1,2-a]quinoline
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Cnqhzydpuqxjjn-uhfffaoysa-
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copper bis(8H-quinolin-8-ide)
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3,12,14-Triazatetracyclo[7.7.0.02,6.010,14]hexadeca-1,3,5,7,9,11,15-heptaene
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6-Azatricyclo[7.3.1.02,7]trideca-1,3,5,7,9,11-hexaene
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magnesium bis(8H-quinolin-8-ide)
CID 87786174
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Frequently Asked Questions

What is the IUPAC name of 12,16,17-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9,11,13,15-octaene?
The IUPAC name of 12,16,17-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9,11,13,15-octaene (CID 135082282) is 12,16,17-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9,11,13,15-octaene.
What is the SMILES notation for 12,16,17-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9,11,13,15-octaene?
The canonical SMILES for 12,16,17-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9,11,13,15-octaene is C1=NC2=CC=NC3=c4ccccc4=CC(=C1)N23.
What is the InChIKey of 12,16,17-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9,11,13,15-octaene?
The InChIKey is ZBHSWZMHAAHCLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3/c1-2-4-12-10(3-1)9-11-5-7-15-13-6-8-16-14(12)17(11)13/h1-9H.
What are the key properties of 12,16,17-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9,11,13,15-octaene?
12,16,17-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9,11,13,15-octaene has a molecular weight of 219.25 g/mol, XLogP of 0.74, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12,16,17-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9,11,13,15-octaene is sourced from PubChem (CID 135082282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).