(2E)-1,2,3,4,5-pentazacycloundeca-2,4,11-triene

C6H11N5 — CID 173088624

IUPAC(2E)-1,2,3,4,5-pentazacycloundeca-2,4,11-triene
SMILESC1=N/N=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-KSNIZKQTSA-N
MW153.19 g/mol
LogP2.37
Rot. Bonds

About (2E)-1,2,3,4,5-pentazacycloundeca-2,4,11-triene

(2E)-1,2,3,4,5-pentazacycloundeca-2,4,11-triene (PubChem CID 173088624) has the molecular formula C6H11N5 and a molecular weight of 153.19 g/mol. Its IUPAC name is (2E)-1,2,3,4,5-pentazacycloundeca-2,4,11-triene.

Molecular Properties

Compound Name(2E)-1,2,3,4,5-pentazacycloundeca-2,4,11-triene
PubChem CID173088624
Molecular FormulaC6H11N5
Molecular Weight153.19 g/mol
Exact Mass153.10
IUPAC Name(2E)-1,2,3,4,5-pentazacycloundeca-2,4,11-triene
SMILESC1=N/N=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-KSNIZKQTSA-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 (2E)-1,2,3,4,5-pentazacycloundeca-2,4,11-triene?
The IUPAC name of (2E)-1,2,3,4,5-pentazacycloundeca-2,4,11-triene (CID 173088624) is (2E)-1,2,3,4,5-pentazacycloundeca-2,4,11-triene.
What is the SMILES notation for (2E)-1,2,3,4,5-pentazacycloundeca-2,4,11-triene?
The canonical SMILES for (2E)-1,2,3,4,5-pentazacycloundeca-2,4,11-triene is C1=N/N=N\N=N/CCCCC1.
What is the InChIKey of (2E)-1,2,3,4,5-pentazacycloundeca-2,4,11-triene?
The InChIKey is IHHJDFVISGSRAV-KSNIZKQTSA-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 (2E)-1,2,3,4,5-pentazacycloundeca-2,4,11-triene?
(2E)-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 (2E)-1,2,3,4,5-pentazacycloundeca-2,4,11-triene is sourced from PubChem (CID 173088624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).