2,7,11-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene

C10H11N3 — CID 121249668

IUPAC2,7,11-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene
SMILESc1cc2ncc3c(n2c1)CCNC3
InChIInChI=1S/C10H11N3/c1-2-10-12-7-8-6-11-4-3-9(8)13(10)5-1/h1-2,5,7,11H,3-4,6H2
InChIKeyILTPBBJOEDBVRD-UHFFFAOYSA-N
MW173.22 g/mol
LogP0.98
Rot. Bonds

About 2,7,11-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene

2,7,11-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene (PubChem CID 121249668) has the molecular formula C10H11N3 and a molecular weight of 173.22 g/mol. Its IUPAC name is 2,7,11-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene.

Molecular Properties

Compound Name2,7,11-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene
PubChem CID121249668
Molecular FormulaC10H11N3
Molecular Weight173.22 g/mol
Exact Mass173.10
IUPAC Name2,7,11-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene
SMILESc1cc2ncc3c(n2c1)CCNC3
InChIInChI=1S/C10H11N3/c1-2-10-12-7-8-6-11-4-3-9(8)13(10)5-1/h1-2,5,7,11H,3-4,6H2
InChIKeyILTPBBJOEDBVRD-UHFFFAOYSA-N
XLogP0.98
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,7,11-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene?
The IUPAC name of 2,7,11-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene (CID 121249668) is 2,7,11-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene.
What is the SMILES notation for 2,7,11-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene?
The canonical SMILES for 2,7,11-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene is c1cc2ncc3c(n2c1)CCNC3.
What is the InChIKey of 2,7,11-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene?
The InChIKey is ILTPBBJOEDBVRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3/c1-2-10-12-7-8-6-11-4-3-9(8)13(10)5-1/h1-2,5,7,11H,3-4,6H2.
What are the key properties of 2,7,11-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene?
2,7,11-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene has a molecular weight of 173.22 g/mol, XLogP of 0.98, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7,11-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene is sourced from PubChem (CID 121249668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).