3,4,5-triazatricyclo[8.7.0.02,7]heptadeca-1(17),2,5,7,9,11,13,15-octaene

C14H11N3 — CID 87492765

IUPAC3,4,5-triazatricyclo[8.7.0.02,7]heptadeca-1(17),2,5,7,9,11,13,15-octaene
SMILESc1cccc2ccc3cn[nH]nc3c2ccc1
InChIInChI=1S/C14H11N3/c1-2-4-6-11-8-9-12-10-15-17-16-14(12)13(11)7-5-3-1/h1-10,17H/b2-1-,5-3-,6-4-,13-7+
InChIKeyOISGATFGGVKHPW-SAEVJLFYSA-N
MW221.26 g/mol
LogP3.24
Rot. Bonds

About 3,4,5-triazatricyclo[8.7.0.02,7]heptadeca-1(17),2,5,7,9,11,13,15-octaene

3,4,5-triazatricyclo[8.7.0.02,7]heptadeca-1(17),2,5,7,9,11,13,15-octaene (PubChem CID 87492765) has the molecular formula C14H11N3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 3,4,5-triazatricyclo[8.7.0.02,7]heptadeca-1(17),2,5,7,9,11,13,15-octaene.

Molecular Properties

Compound Name3,4,5-triazatricyclo[8.7.0.02,7]heptadeca-1(17),2,5,7,9,11,13,15-octaene
PubChem CID87492765
Molecular FormulaC14H11N3
Molecular Weight221.26 g/mol
Exact Mass221.10
IUPAC Name3,4,5-triazatricyclo[8.7.0.02,7]heptadeca-1(17),2,5,7,9,11,13,15-octaene
SMILESc1cccc2ccc3cn[nH]nc3c2ccc1
InChIInChI=1S/C14H11N3/c1-2-4-6-11-8-9-12-10-15-17-16-14(12)13(11)7-5-3-1/h1-10,17H/b2-1-,5-3-,6-4-,13-7+
InChIKeyOISGATFGGVKHPW-SAEVJLFYSA-N
XLogP3.24
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3,4,5-triazatricyclo[8.7.0.02,7]heptadeca-1(17),2,5,7,9,11,13,15-octaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,4,5-triazatricyclo[8.7.0.02,7]heptadeca-1(17),2,5,7,9,11,13,15-octaene?
The IUPAC name of 3,4,5-triazatricyclo[8.7.0.02,7]heptadeca-1(17),2,5,7,9,11,13,15-octaene (CID 87492765) is 3,4,5-triazatricyclo[8.7.0.02,7]heptadeca-1(17),2,5,7,9,11,13,15-octaene.
What is the SMILES notation for 3,4,5-triazatricyclo[8.7.0.02,7]heptadeca-1(17),2,5,7,9,11,13,15-octaene?
The canonical SMILES for 3,4,5-triazatricyclo[8.7.0.02,7]heptadeca-1(17),2,5,7,9,11,13,15-octaene is c1cccc2ccc3cn[nH]nc3c2ccc1.
What is the InChIKey of 3,4,5-triazatricyclo[8.7.0.02,7]heptadeca-1(17),2,5,7,9,11,13,15-octaene?
The InChIKey is OISGATFGGVKHPW-SAEVJLFYSA-N. The full InChI is InChI=1S/C14H11N3/c1-2-4-6-11-8-9-12-10-15-17-16-14(12)13(11)7-5-3-1/h1-10,17H/b2-1-,5-3-,6-4-,13-7+.
What are the key properties of 3,4,5-triazatricyclo[8.7.0.02,7]heptadeca-1(17),2,5,7,9,11,13,15-octaene?
3,4,5-triazatricyclo[8.7.0.02,7]heptadeca-1(17),2,5,7,9,11,13,15-octaene has a molecular weight of 221.26 g/mol, XLogP of 3.24, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-triazatricyclo[8.7.0.02,7]heptadeca-1(17),2,5,7,9,11,13,15-octaene is sourced from PubChem (CID 87492765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).