3,7,11-triazatricyclo[7.3.1.05,13]trideca-1,3,5,7,9,11-hexaene

C10H7N3 — CID 59256862

IUPAC3,7,11-triazatricyclo[7.3.1.05,13]trideca-1,3,5,7,9,11-hexaene
SMILESC1=NC=C2C=NC=C3C=NC=C1C23
InChIInChI=1S/C10H7N3/c1-7-2-12-5-9-6-13-4-8(3-11-1)10(7)9/h1-6,10H
InChIKeyJZUDXYLJUXUHRL-UHFFFAOYSA-N
MW169.19 g/mol
LogP1.51
Rot. Bonds

About 3,7,11-triazatricyclo[7.3.1.05,13]trideca-1,3,5,7,9,11-hexaene

3,7,11-triazatricyclo[7.3.1.05,13]trideca-1,3,5,7,9,11-hexaene (PubChem CID 59256862) has the molecular formula C10H7N3 and a molecular weight of 169.19 g/mol. Its IUPAC name is 3,7,11-triazatricyclo[7.3.1.05,13]trideca-1,3,5,7,9,11-hexaene.

Molecular Properties

Compound Name3,7,11-triazatricyclo[7.3.1.05,13]trideca-1,3,5,7,9,11-hexaene
PubChem CID59256862
Molecular FormulaC10H7N3
Molecular Weight169.19 g/mol
Exact Mass169.06
IUPAC Name3,7,11-triazatricyclo[7.3.1.05,13]trideca-1,3,5,7,9,11-hexaene
SMILESC1=NC=C2C=NC=C3C=NC=C1C23
InChIInChI=1S/C10H7N3/c1-7-2-12-5-9-6-13-4-8(3-11-1)10(7)9/h1-6,10H
InChIKeyJZUDXYLJUXUHRL-UHFFFAOYSA-N
XLogP1.51
TPSA37.08 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 ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,7,11-triazatricyclo[7.3.1.05,13]trideca-1,3,5,7,9,11-hexaene?
The IUPAC name of 3,7,11-triazatricyclo[7.3.1.05,13]trideca-1,3,5,7,9,11-hexaene (CID 59256862) is 3,7,11-triazatricyclo[7.3.1.05,13]trideca-1,3,5,7,9,11-hexaene.
What is the SMILES notation for 3,7,11-triazatricyclo[7.3.1.05,13]trideca-1,3,5,7,9,11-hexaene?
The canonical SMILES for 3,7,11-triazatricyclo[7.3.1.05,13]trideca-1,3,5,7,9,11-hexaene is C1=NC=C2C=NC=C3C=NC=C1C23.
What is the InChIKey of 3,7,11-triazatricyclo[7.3.1.05,13]trideca-1,3,5,7,9,11-hexaene?
The InChIKey is JZUDXYLJUXUHRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3/c1-7-2-12-5-9-6-13-4-8(3-11-1)10(7)9/h1-6,10H.
What are the key properties of 3,7,11-triazatricyclo[7.3.1.05,13]trideca-1,3,5,7,9,11-hexaene?
3,7,11-triazatricyclo[7.3.1.05,13]trideca-1,3,5,7,9,11-hexaene has a molecular weight of 169.19 g/mol, XLogP of 1.51, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7,11-triazatricyclo[7.3.1.05,13]trideca-1,3,5,7,9,11-hexaene is sourced from PubChem (CID 59256862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).