1,5,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene

C10H11N3 — CID 82411599

IUPAC1,5,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene
SMILESc1cc2c(cn1)cc1n2CCNC1
InChIInChI=1S/C10H11N3/c1-2-11-6-8-5-9-7-12-3-4-13(9)10(1)8/h1-2,5-6,12H,3-4,7H2
InChIKeyIKNQMJBEUHJUFM-UHFFFAOYSA-N
MW173.22 g/mol
LogP1.14
Rot. Bonds

About 1,5,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene

1,5,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene (PubChem CID 82411599) has the molecular formula C10H11N3 and a molecular weight of 173.22 g/mol. Its IUPAC name is 1,5,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene.

Molecular Properties

Compound Name1,5,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene
PubChem CID82411599
Molecular FormulaC10H11N3
Molecular Weight173.22 g/mol
Exact Mass173.10
IUPAC Name1,5,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene
SMILESc1cc2c(cn1)cc1n2CCNC1
InChIInChI=1S/C10H11N3/c1-2-11-6-8-5-9-7-12-3-4-13(9)10(1)8/h1-2,5-6,12H,3-4,7H2
InChIKeyIKNQMJBEUHJUFM-UHFFFAOYSA-N
XLogP1.14
TPSA29.85 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 ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,5,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene?
The IUPAC name of 1,5,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene (CID 82411599) is 1,5,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene.
What is the SMILES notation for 1,5,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene?
The canonical SMILES for 1,5,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene is c1cc2c(cn1)cc1n2CCNC1.
What is the InChIKey of 1,5,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene?
The InChIKey is IKNQMJBEUHJUFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3/c1-2-11-6-8-5-9-7-12-3-4-13(9)10(1)8/h1-2,5-6,12H,3-4,7H2.
What are the key properties of 1,5,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene?
1,5,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene has a molecular weight of 173.22 g/mol, XLogP of 1.14, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene is sourced from PubChem (CID 82411599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).