5,7,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1,3,5,8,10,12,14,16-octaene

C14H9N3 — CID 54002015

IUPAC5,7,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1,3,5,8,10,12,14,16-octaene
SMILESc1ccc2c3ccn4cnccc4c-3nc2c1
InChIInChI=1S/C14H9N3/c1-2-4-12-10(3-1)11-6-8-17-9-15-7-5-13(17)14(11)16-12/h1-9H
InChIKeyKMGPTNHOOZXITG-UHFFFAOYSA-N
MW219.25 g/mol
LogP2.99
Rot. Bonds

About 5,7,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1,3,5,8,10,12,14,16-octaene

5,7,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1,3,5,8,10,12,14,16-octaene (PubChem CID 54002015) has the molecular formula C14H9N3 and a molecular weight of 219.25 g/mol. Its IUPAC name is 5,7,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1,3,5,8,10,12,14,16-octaene.

Molecular Properties

Compound Name5,7,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1,3,5,8,10,12,14,16-octaene
PubChem CID54002015
Molecular FormulaC14H9N3
Molecular Weight219.25 g/mol
Exact Mass219.08
IUPAC Name5,7,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1,3,5,8,10,12,14,16-octaene
SMILESc1ccc2c3ccn4cnccc4c-3nc2c1
InChIInChI=1S/C14H9N3/c1-2-4-12-10(3-1)11-6-8-17-9-15-7-5-13(17)14(11)16-12/h1-9H
InChIKeyKMGPTNHOOZXITG-UHFFFAOYSA-N
XLogP2.99
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 ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5,7,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1,3,5,8,10,12,14,16-octaene with MolForge

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Related Compounds

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18,19-dimethoxy-3,13-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1,3,5,7,9,11,14,16,18,20-decaene
CID 14934408
4-oxa-6,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1,7,9,11,13,15-hexaene
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3,4-dihydroindolo[2,3-a]quinolizine
CID 162895954
1-methyl-2-[6-(1-methylpyrido[3,4-b]indol-2-yl)hexyl]pyrido[3,4-b]indole;dihydrobromide
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pyrimido[6,1-b]quinazolin-10-one
CID 142486483
1-pyridin-4-ylimidazo[1,5-a]pyridine
CID 171925806
2-chloro-4-imidazol-1-ylquinazoline
CID 15187963
2-methyl-4-pyrrolo[3,2-c]pyridin-1-ylquinazoline
CID 58820202
16,17-dimethoxy-3,13-diazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1,3,5,7,9,11,14,16,18-nonaen-20-one
CID 56957308

Frequently Asked Questions

What is the IUPAC name of 5,7,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1,3,5,8,10,12,14,16-octaene?
The IUPAC name of 5,7,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1,3,5,8,10,12,14,16-octaene (CID 54002015) is 5,7,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1,3,5,8,10,12,14,16-octaene.
What is the SMILES notation for 5,7,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1,3,5,8,10,12,14,16-octaene?
The canonical SMILES for 5,7,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1,3,5,8,10,12,14,16-octaene is c1ccc2c3ccn4cnccc4c-3nc2c1.
What is the InChIKey of 5,7,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1,3,5,8,10,12,14,16-octaene?
The InChIKey is KMGPTNHOOZXITG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3/c1-2-4-12-10(3-1)11-6-8-17-9-15-7-5-13(17)14(11)16-12/h1-9H.
What are the key properties of 5,7,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1,3,5,8,10,12,14,16-octaene?
5,7,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1,3,5,8,10,12,14,16-octaene has a molecular weight of 219.25 g/mol, XLogP of 2.99, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1,3,5,8,10,12,14,16-octaene is sourced from PubChem (CID 54002015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).