1,2,3-triazacycloundeca-2,9,11-triene

C8H13N3 — CID 68503864

IUPAC1,2,3-triazacycloundeca-2,9,11-triene
SMILESC1=CCCCCC/N=N\N=C1
InChIInChI=1S/C8H13N3/c1-2-4-6-8-10-11-9-7-5-3-1/h3,5,7H,1-2,4,6,8H2/b5-3?,9-7?,11-10-
InChIKeyXLGHJYKDOOYEBW-SYGHZVQYSA-N
MW151.21 g/mol
LogP2.55
Rot. Bonds

About 1,2,3-triazacycloundeca-2,9,11-triene

1,2,3-triazacycloundeca-2,9,11-triene (PubChem CID 68503864) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is 1,2,3-triazacycloundeca-2,9,11-triene.

Molecular Properties

Compound Name1,2,3-triazacycloundeca-2,9,11-triene
PubChem CID68503864
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name1,2,3-triazacycloundeca-2,9,11-triene
SMILESC1=CCCCCC/N=N\N=C1
InChIInChI=1S/C8H13N3/c1-2-4-6-8-10-11-9-7-5-3-1/h3,5,7H,1-2,4,6,8H2/b5-3?,9-7?,11-10-
InChIKeyXLGHJYKDOOYEBW-SYGHZVQYSA-N
XLogP2.55
TPSA37.08 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2,3-triazacycloundeca-2,9,11-triene?
The IUPAC name of 1,2,3-triazacycloundeca-2,9,11-triene (CID 68503864) is 1,2,3-triazacycloundeca-2,9,11-triene.
What is the SMILES notation for 1,2,3-triazacycloundeca-2,9,11-triene?
The canonical SMILES for 1,2,3-triazacycloundeca-2,9,11-triene is C1=CCCCCC/N=N\N=C1.
What is the InChIKey of 1,2,3-triazacycloundeca-2,9,11-triene?
The InChIKey is XLGHJYKDOOYEBW-SYGHZVQYSA-N. The full InChI is InChI=1S/C8H13N3/c1-2-4-6-8-10-11-9-7-5-3-1/h3,5,7H,1-2,4,6,8H2/b5-3?,9-7?,11-10-.
What are the key properties of 1,2,3-triazacycloundeca-2,9,11-triene?
1,2,3-triazacycloundeca-2,9,11-triene has a molecular weight of 151.21 g/mol, XLogP of 2.55, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-triazacycloundeca-2,9,11-triene is sourced from PubChem (CID 68503864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).