1,2,3,4,5-pentazacycloundeca-2,4,11-triene

C6H11N5 — CID 68504166

IUPAC1,2,3,4,5-pentazacycloundeca-2,4,11-triene
SMILESC1=NN=N/N=N\CCCCC1
InChIInChI=1S/C6H11N5/c1-2-4-6-8-10-11-9-7-5-3-1/h5H,1-4,6H2/b7-5?,10-8-,11-9?
InChIKeyIHHJDFVISGSRAV-MSIOGSRNSA-N
MW153.19 g/mol
LogP2.37
Rot. Bonds

About 1,2,3,4,5-pentazacycloundeca-2,4,11-triene

1,2,3,4,5-pentazacycloundeca-2,4,11-triene (PubChem CID 68504166) has the molecular formula C6H11N5 and a molecular weight of 153.19 g/mol. Its IUPAC name is 1,2,3,4,5-pentazacycloundeca-2,4,11-triene.

Molecular Properties

Compound Name1,2,3,4,5-pentazacycloundeca-2,4,11-triene
PubChem CID68504166
Molecular FormulaC6H11N5
Molecular Weight153.19 g/mol
Exact Mass153.10
IUPAC Name1,2,3,4,5-pentazacycloundeca-2,4,11-triene
SMILESC1=NN=N/N=N\CCCCC1
InChIInChI=1S/C6H11N5/c1-2-4-6-8-10-11-9-7-5-3-1/h5H,1-4,6H2/b7-5?,10-8-,11-9?
InChIKeyIHHJDFVISGSRAV-MSIOGSRNSA-N
XLogP2.37
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.19
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5-pentazacycloundeca-2,4,11-triene?
The IUPAC name of 1,2,3,4,5-pentazacycloundeca-2,4,11-triene (CID 68504166) is 1,2,3,4,5-pentazacycloundeca-2,4,11-triene.
What is the SMILES notation for 1,2,3,4,5-pentazacycloundeca-2,4,11-triene?
The canonical SMILES for 1,2,3,4,5-pentazacycloundeca-2,4,11-triene is C1=NN=N/N=N\CCCCC1.
What is the InChIKey of 1,2,3,4,5-pentazacycloundeca-2,4,11-triene?
The InChIKey is IHHJDFVISGSRAV-MSIOGSRNSA-N. The full InChI is InChI=1S/C6H11N5/c1-2-4-6-8-10-11-9-7-5-3-1/h5H,1-4,6H2/b7-5?,10-8-,11-9?.
What are the key properties of 1,2,3,4,5-pentazacycloundeca-2,4,11-triene?
1,2,3,4,5-pentazacycloundeca-2,4,11-triene has a molecular weight of 153.19 g/mol, XLogP of 2.37, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5-pentazacycloundeca-2,4,11-triene is sourced from PubChem (CID 68504166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).