2,3,4-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene

C13H7N3 — CID 20513184

IUPAC2,3,4-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene
SMILESc1ccc2c(c1)-c1cccc3nnnc-2c13
InChIInChI=1S/C13H7N3/c1-2-5-10-8(4-1)9-6-3-7-11-12(9)13(10)15-16-14-11/h1-7H
InChIKeyPKSCUUSRDSCNRK-UHFFFAOYSA-N
MW205.22 g/mol
LogP2.67
Rot. Bonds

About 2,3,4-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene

2,3,4-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene (PubChem CID 20513184) has the molecular formula C13H7N3 and a molecular weight of 205.22 g/mol. Its IUPAC name is 2,3,4-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene.

Molecular Properties

Compound Name2,3,4-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene
PubChem CID20513184
Molecular FormulaC13H7N3
Molecular Weight205.22 g/mol
Exact Mass205.06
IUPAC Name2,3,4-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene
SMILESc1ccc2c(c1)-c1cccc3nnnc-2c13
InChIInChI=1S/C13H7N3/c1-2-5-10-8(4-1)9-6-3-7-11-12(9)13(10)15-16-14-11/h1-7H
InChIKeyPKSCUUSRDSCNRK-UHFFFAOYSA-N
XLogP2.67
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3,4-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene?
The IUPAC name of 2,3,4-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene (CID 20513184) is 2,3,4-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene.
What is the SMILES notation for 2,3,4-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene?
The canonical SMILES for 2,3,4-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene is c1ccc2c(c1)-c1cccc3nnnc-2c13.
What is the InChIKey of 2,3,4-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene?
The InChIKey is PKSCUUSRDSCNRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7N3/c1-2-5-10-8(4-1)9-6-3-7-11-12(9)13(10)15-16-14-11/h1-7H.
What are the key properties of 2,3,4-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene?
2,3,4-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene has a molecular weight of 205.22 g/mol, XLogP of 2.67, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene is sourced from PubChem (CID 20513184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).