1,2,5,6,10-pentazatricyclo[6.4.0.02,6]dodeca-4,7-diene

C7H11N5 — CID 129262068

IUPAC1,2,5,6,10-pentazatricyclo[6.4.0.02,6]dodeca-4,7-diene
SMILESC1=NN2C=C3CNCCN3N2C1
InChIInChI=1S/C7H11N5/c1-3-10-7(5-8-1)6-11-9-2-4-12(10)11/h2,6,8H,1,3-5H2
InChIKeyAPZRBOBLZHVMKG-UHFFFAOYSA-N
MW165.20 g/mol
LogP-0.82
Rot. Bonds

About 1,2,5,6,10-pentazatricyclo[6.4.0.02,6]dodeca-4,7-diene

1,2,5,6,10-pentazatricyclo[6.4.0.02,6]dodeca-4,7-diene (PubChem CID 129262068) has the molecular formula C7H11N5 and a molecular weight of 165.20 g/mol. Its IUPAC name is 1,2,5,6,10-pentazatricyclo[6.4.0.02,6]dodeca-4,7-diene.

Molecular Properties

Compound Name1,2,5,6,10-pentazatricyclo[6.4.0.02,6]dodeca-4,7-diene
PubChem CID129262068
Molecular FormulaC7H11N5
Molecular Weight165.20 g/mol
Exact Mass165.10
IUPAC Name1,2,5,6,10-pentazatricyclo[6.4.0.02,6]dodeca-4,7-diene
SMILESC1=NN2C=C3CNCCN3N2C1
InChIInChI=1S/C7H11N5/c1-3-10-7(5-8-1)6-11-9-2-4-12(10)11/h2,6,8H,1,3-5H2
InChIKeyAPZRBOBLZHVMKG-UHFFFAOYSA-N
XLogP-0.82
TPSA34.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 5-0.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,2,5,6,10-pentazatricyclo[6.4.0.02,6]dodeca-4,7-diene?
The IUPAC name of 1,2,5,6,10-pentazatricyclo[6.4.0.02,6]dodeca-4,7-diene (CID 129262068) is 1,2,5,6,10-pentazatricyclo[6.4.0.02,6]dodeca-4,7-diene.
What is the SMILES notation for 1,2,5,6,10-pentazatricyclo[6.4.0.02,6]dodeca-4,7-diene?
The canonical SMILES for 1,2,5,6,10-pentazatricyclo[6.4.0.02,6]dodeca-4,7-diene is C1=NN2C=C3CNCCN3N2C1.
What is the InChIKey of 1,2,5,6,10-pentazatricyclo[6.4.0.02,6]dodeca-4,7-diene?
The InChIKey is APZRBOBLZHVMKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5/c1-3-10-7(5-8-1)6-11-9-2-4-12(10)11/h2,6,8H,1,3-5H2.
What are the key properties of 1,2,5,6,10-pentazatricyclo[6.4.0.02,6]dodeca-4,7-diene?
1,2,5,6,10-pentazatricyclo[6.4.0.02,6]dodeca-4,7-diene has a molecular weight of 165.20 g/mol, XLogP of -0.82, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,5,6,10-pentazatricyclo[6.4.0.02,6]dodeca-4,7-diene is sourced from PubChem (CID 129262068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).