1,4,7-triazacycloundecane;trihydrochloride

C8H22Cl3N3 — CID 71676580

IUPAC1,4,7-triazacycloundecane;trihydrochloride
SMILESC1CCNCCNCCNC1.Cl.Cl.Cl
InChIInChI=1S/C8H19N3.3ClH/c1-2-4-10-6-8-11-7-5-9-3-1;;;/h9-11H,1-8H2;3*1H
InChIKeyMPJKLMCYBYNDRF-UHFFFAOYSA-N
MW266.64 g/mol
LogP0.81
Rot. Bonds

About 1,4,7-triazacycloundecane;trihydrochloride

1,4,7-triazacycloundecane;trihydrochloride (PubChem CID 71676580) has the molecular formula C8H22Cl3N3 and a molecular weight of 266.64 g/mol. Its IUPAC name is 1,4,7-triazacycloundecane;trihydrochloride.

Molecular Properties

Compound Name1,4,7-triazacycloundecane;trihydrochloride
PubChem CID71676580
Molecular FormulaC8H22Cl3N3
Molecular Weight266.64 g/mol
Exact Mass265.09
IUPAC Name1,4,7-triazacycloundecane;trihydrochloride
SMILESC1CCNCCNCCNC1.Cl.Cl.Cl
InChIInChI=1S/C8H19N3.3ClH/c1-2-4-10-6-8-11-7-5-9-3-1;;;/h9-11H,1-8H2;3*1H
InChIKeyMPJKLMCYBYNDRF-UHFFFAOYSA-N
XLogP0.81
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.64
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1,4,7-triazacycloundecane;trihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,4,7-triazacycloundecane;trihydrochloride?
The IUPAC name of 1,4,7-triazacycloundecane;trihydrochloride (CID 71676580) is 1,4,7-triazacycloundecane;trihydrochloride.
What is the SMILES notation for 1,4,7-triazacycloundecane;trihydrochloride?
The canonical SMILES for 1,4,7-triazacycloundecane;trihydrochloride is C1CCNCCNCCNC1.Cl.Cl.Cl.
What is the InChIKey of 1,4,7-triazacycloundecane;trihydrochloride?
The InChIKey is MPJKLMCYBYNDRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3.3ClH/c1-2-4-10-6-8-11-7-5-9-3-1;;;/h9-11H,1-8H2;3*1H.
What are the key properties of 1,4,7-triazacycloundecane;trihydrochloride?
1,4,7-triazacycloundecane;trihydrochloride has a molecular weight of 266.64 g/mol, XLogP of 0.81, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,7-triazacycloundecane;trihydrochloride is sourced from PubChem (CID 71676580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).