1,8,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene

C9H9N3 — CID 22224463

IUPAC1,8,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene
SMILESc1cn2c3c(cnc2n1)CCC3
InChIInChI=1S/C9H9N3/c1-2-7-6-11-9-10-4-5-12(9)8(7)3-1/h4-6H,1-3H2
InChIKeyLYDGGDKACJPTNY-UHFFFAOYSA-N
MW159.19 g/mol
LogP1.22
Rot. Bonds

About 1,8,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene

1,8,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene (PubChem CID 22224463) has the molecular formula C9H9N3 and a molecular weight of 159.19 g/mol. Its IUPAC name is 1,8,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene.

Molecular Properties

Compound Name1,8,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene
PubChem CID22224463
Molecular FormulaC9H9N3
Molecular Weight159.19 g/mol
Exact Mass159.08
IUPAC Name1,8,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene
SMILESc1cn2c3c(cnc2n1)CCC3
InChIInChI=1S/C9H9N3/c1-2-7-6-11-9-10-4-5-12(9)8(7)3-1/h4-6H,1-3H2
InChIKeyLYDGGDKACJPTNY-UHFFFAOYSA-N
XLogP1.22
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1,8,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,8,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene?
The IUPAC name of 1,8,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene (CID 22224463) is 1,8,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene.
What is the SMILES notation for 1,8,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene?
The canonical SMILES for 1,8,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene is c1cn2c3c(cnc2n1)CCC3.
What is the InChIKey of 1,8,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene?
The InChIKey is LYDGGDKACJPTNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3/c1-2-7-6-11-9-10-4-5-12(9)8(7)3-1/h4-6H,1-3H2.
What are the key properties of 1,8,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene?
1,8,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene has a molecular weight of 159.19 g/mol, XLogP of 1.22, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene is sourced from PubChem (CID 22224463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).