2,5,8-triazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7-tetraene

C11H13N3 — CID 51345842

IUPAC2,5,8-triazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7-tetraene
SMILESc1cn2c3c(nc2cn1)CCCCC3
InChIInChI=1S/C11H13N3/c1-2-4-9-10(5-3-1)14-7-6-12-8-11(14)13-9/h6-8H,1-5H2
InChIKeyZWEXHLVGQVARDS-UHFFFAOYSA-N
MW187.25 g/mol
LogP2.00
Rot. Bonds

About 2,5,8-triazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7-tetraene

2,5,8-triazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7-tetraene (PubChem CID 51345842) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is 2,5,8-triazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7-tetraene.

Molecular Properties

Compound Name2,5,8-triazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7-tetraene
PubChem CID51345842
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC Name2,5,8-triazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7-tetraene
SMILESc1cn2c3c(nc2cn1)CCCCC3
InChIInChI=1S/C11H13N3/c1-2-4-9-10(5-3-1)14-7-6-12-8-11(14)13-9/h6-8H,1-5H2
InChIKeyZWEXHLVGQVARDS-UHFFFAOYSA-N
XLogP2.00
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5,8-triazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7-tetraene?
The IUPAC name of 2,5,8-triazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7-tetraene (CID 51345842) is 2,5,8-triazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7-tetraene.
What is the SMILES notation for 2,5,8-triazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7-tetraene?
The canonical SMILES for 2,5,8-triazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7-tetraene is c1cn2c3c(nc2cn1)CCCCC3.
What is the InChIKey of 2,5,8-triazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7-tetraene?
The InChIKey is ZWEXHLVGQVARDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3/c1-2-4-9-10(5-3-1)14-7-6-12-8-11(14)13-9/h6-8H,1-5H2.
What are the key properties of 2,5,8-triazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7-tetraene?
2,5,8-triazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7-tetraene has a molecular weight of 187.25 g/mol, XLogP of 2.00, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,8-triazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7-tetraene is sourced from PubChem (CID 51345842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).