7,8,11-triazatricyclo[6.4.0.02,6]dodeca-1,6-diene

C9H13N3 — CID 75481037

IUPAC7,8,11-triazatricyclo[6.4.0.02,6]dodeca-1,6-diene
SMILESC1Cc2nn3c(c2C1)CNCC3
InChIInChI=1S/C9H13N3/c1-2-7-8(3-1)11-12-5-4-10-6-9(7)12/h10H,1-6H2
InChIKeyKFEGNQFDTSLVBP-UHFFFAOYSA-N
MW163.22 g/mol
LogP0.47
Rot. Bonds

About 7,8,11-triazatricyclo[6.4.0.02,6]dodeca-1,6-diene

7,8,11-triazatricyclo[6.4.0.02,6]dodeca-1,6-diene (PubChem CID 75481037) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 7,8,11-triazatricyclo[6.4.0.02,6]dodeca-1,6-diene.

Molecular Properties

Compound Name7,8,11-triazatricyclo[6.4.0.02,6]dodeca-1,6-diene
PubChem CID75481037
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name7,8,11-triazatricyclo[6.4.0.02,6]dodeca-1,6-diene
SMILESC1Cc2nn3c(c2C1)CNCC3
InChIInChI=1S/C9H13N3/c1-2-7-8(3-1)11-12-5-4-10-6-9(7)12/h10H,1-6H2
InChIKeyKFEGNQFDTSLVBP-UHFFFAOYSA-N
XLogP0.47
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7,8,11-triazatricyclo[6.4.0.02,6]dodeca-1,6-diene?
The IUPAC name of 7,8,11-triazatricyclo[6.4.0.02,6]dodeca-1,6-diene (CID 75481037) is 7,8,11-triazatricyclo[6.4.0.02,6]dodeca-1,6-diene.
What is the SMILES notation for 7,8,11-triazatricyclo[6.4.0.02,6]dodeca-1,6-diene?
The canonical SMILES for 7,8,11-triazatricyclo[6.4.0.02,6]dodeca-1,6-diene is C1Cc2nn3c(c2C1)CNCC3.
What is the InChIKey of 7,8,11-triazatricyclo[6.4.0.02,6]dodeca-1,6-diene?
The InChIKey is KFEGNQFDTSLVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3/c1-2-7-8(3-1)11-12-5-4-10-6-9(7)12/h10H,1-6H2.
What are the key properties of 7,8,11-triazatricyclo[6.4.0.02,6]dodeca-1,6-diene?
7,8,11-triazatricyclo[6.4.0.02,6]dodeca-1,6-diene has a molecular weight of 163.22 g/mol, XLogP of 0.47, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8,11-triazatricyclo[6.4.0.02,6]dodeca-1,6-diene is sourced from PubChem (CID 75481037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).