4,7,11-triazatricyclo[8.3.0.03,7]trideca-1,3,5,8,10,12-hexaene

C10H7N3 — CID 67836678

IUPAC4,7,11-triazatricyclo[8.3.0.03,7]trideca-1,3,5,8,10,12-hexaene
SMILESc1cc2cc3nccn3ccc-2n1
InChIInChI=1S/C10H7N3/c1-3-11-9-2-5-13-6-4-12-10(13)7-8(1)9/h1-7H
InChIKeyACBGMCQYOLOMJI-UHFFFAOYSA-N
MW169.19 g/mol
LogP1.83
Rot. Bonds

About 4,7,11-triazatricyclo[8.3.0.03,7]trideca-1,3,5,8,10,12-hexaene

4,7,11-triazatricyclo[8.3.0.03,7]trideca-1,3,5,8,10,12-hexaene (PubChem CID 67836678) has the molecular formula C10H7N3 and a molecular weight of 169.19 g/mol. Its IUPAC name is 4,7,11-triazatricyclo[8.3.0.03,7]trideca-1,3,5,8,10,12-hexaene.

Molecular Properties

Compound Name4,7,11-triazatricyclo[8.3.0.03,7]trideca-1,3,5,8,10,12-hexaene
PubChem CID67836678
Molecular FormulaC10H7N3
Molecular Weight169.19 g/mol
Exact Mass169.06
IUPAC Name4,7,11-triazatricyclo[8.3.0.03,7]trideca-1,3,5,8,10,12-hexaene
SMILESc1cc2cc3nccn3ccc-2n1
InChIInChI=1S/C10H7N3/c1-3-11-9-2-5-13-6-4-12-10(13)7-8(1)9/h1-7H
InChIKeyACBGMCQYOLOMJI-UHFFFAOYSA-N
XLogP1.83
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.19
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,7,11-triazatricyclo[8.3.0.03,7]trideca-1,3,5,8,10,12-hexaene?
The IUPAC name of 4,7,11-triazatricyclo[8.3.0.03,7]trideca-1,3,5,8,10,12-hexaene (CID 67836678) is 4,7,11-triazatricyclo[8.3.0.03,7]trideca-1,3,5,8,10,12-hexaene.
What is the SMILES notation for 4,7,11-triazatricyclo[8.3.0.03,7]trideca-1,3,5,8,10,12-hexaene?
The canonical SMILES for 4,7,11-triazatricyclo[8.3.0.03,7]trideca-1,3,5,8,10,12-hexaene is c1cc2cc3nccn3ccc-2n1.
What is the InChIKey of 4,7,11-triazatricyclo[8.3.0.03,7]trideca-1,3,5,8,10,12-hexaene?
The InChIKey is ACBGMCQYOLOMJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3/c1-3-11-9-2-5-13-6-4-12-10(13)7-8(1)9/h1-7H.
What are the key properties of 4,7,11-triazatricyclo[8.3.0.03,7]trideca-1,3,5,8,10,12-hexaene?
4,7,11-triazatricyclo[8.3.0.03,7]trideca-1,3,5,8,10,12-hexaene has a molecular weight of 169.19 g/mol, XLogP of 1.83, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7,11-triazatricyclo[8.3.0.03,7]trideca-1,3,5,8,10,12-hexaene is sourced from PubChem (CID 67836678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).