3,8,10-triazatricyclo[7.3.0.02,6]dodeca-1,3,5,7,9,11-hexaene

C9H5N3 — CID 141278147

IUPAC3,8,10-triazatricyclo[7.3.0.02,6]dodeca-1,3,5,7,9,11-hexaene
SMILESC1=Cc2c3c(cnc2=N1)=CC=N3
InChIInChI=1S/C9H5N3/c1-3-10-8-6(1)5-12-9-7(8)2-4-11-9/h1-5H
InChIKeyMSXHIKDBYDUYMI-UHFFFAOYSA-N
MW155.16 g/mol
LogP0.18
Rot. Bonds

About 3,8,10-triazatricyclo[7.3.0.02,6]dodeca-1,3,5,7,9,11-hexaene

3,8,10-triazatricyclo[7.3.0.02,6]dodeca-1,3,5,7,9,11-hexaene (PubChem CID 141278147) has the molecular formula C9H5N3 and a molecular weight of 155.16 g/mol. Its IUPAC name is 3,8,10-triazatricyclo[7.3.0.02,6]dodeca-1,3,5,7,9,11-hexaene.

Molecular Properties

Compound Name3,8,10-triazatricyclo[7.3.0.02,6]dodeca-1,3,5,7,9,11-hexaene
PubChem CID141278147
Molecular FormulaC9H5N3
Molecular Weight155.16 g/mol
Exact Mass155.05
IUPAC Name3,8,10-triazatricyclo[7.3.0.02,6]dodeca-1,3,5,7,9,11-hexaene
SMILESC1=Cc2c3c(cnc2=N1)=CC=N3
InChIInChI=1S/C9H5N3/c1-3-10-8-6(1)5-12-9-7(8)2-4-11-9/h1-5H
InChIKeyMSXHIKDBYDUYMI-UHFFFAOYSA-N
XLogP0.18
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 50.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,8,10-triazatricyclo[7.3.0.02,6]dodeca-1,3,5,7,9,11-hexaene?
The IUPAC name of 3,8,10-triazatricyclo[7.3.0.02,6]dodeca-1,3,5,7,9,11-hexaene (CID 141278147) is 3,8,10-triazatricyclo[7.3.0.02,6]dodeca-1,3,5,7,9,11-hexaene.
What is the SMILES notation for 3,8,10-triazatricyclo[7.3.0.02,6]dodeca-1,3,5,7,9,11-hexaene?
The canonical SMILES for 3,8,10-triazatricyclo[7.3.0.02,6]dodeca-1,3,5,7,9,11-hexaene is C1=Cc2c3c(cnc2=N1)=CC=N3.
What is the InChIKey of 3,8,10-triazatricyclo[7.3.0.02,6]dodeca-1,3,5,7,9,11-hexaene?
The InChIKey is MSXHIKDBYDUYMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5N3/c1-3-10-8-6(1)5-12-9-7(8)2-4-11-9/h1-5H.
What are the key properties of 3,8,10-triazatricyclo[7.3.0.02,6]dodeca-1,3,5,7,9,11-hexaene?
3,8,10-triazatricyclo[7.3.0.02,6]dodeca-1,3,5,7,9,11-hexaene has a molecular weight of 155.16 g/mol, XLogP of 0.18, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8,10-triazatricyclo[7.3.0.02,6]dodeca-1,3,5,7,9,11-hexaene is sourced from PubChem (CID 141278147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).