1-oxa-4,7,10-triazacyclotridecane

C9H21N3O — CID 22755933

IUPAC1-oxa-4,7,10-triazacyclotridecane
SMILESC1CNCCNCCNCCOC1
InChIInChI=1S/C9H21N3O/c1-2-10-3-4-11-5-6-12-7-9-13-8-1/h10-12H,1-9H2
InChIKeyZZLCGBDKCVESMS-UHFFFAOYSA-N
MW187.29 g/mol
LogP-0.82
Rot. Bonds

About 1-oxa-4,7,10-triazacyclotridecane

1-oxa-4,7,10-triazacyclotridecane (PubChem CID 22755933) has the molecular formula C9H21N3O and a molecular weight of 187.29 g/mol. Its IUPAC name is 1-oxa-4,7,10-triazacyclotridecane.

Molecular Properties

Compound Name1-oxa-4,7,10-triazacyclotridecane
PubChem CID22755933
Molecular FormulaC9H21N3O
Molecular Weight187.29 g/mol
Exact Mass187.17
IUPAC Name1-oxa-4,7,10-triazacyclotridecane
SMILESC1CNCCNCCNCCOC1
InChIInChI=1S/C9H21N3O/c1-2-10-3-4-11-5-6-12-7-9-13-8-1/h10-12H,1-9H2
InChIKeyZZLCGBDKCVESMS-UHFFFAOYSA-N
XLogP-0.82
TPSA45.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 5-0.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-oxa-4,7,10-triazacyclotridecane 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-oxa-4,7,10-triazacyclotridecane?
The IUPAC name of 1-oxa-4,7,10-triazacyclotridecane (CID 22755933) is 1-oxa-4,7,10-triazacyclotridecane.
What is the SMILES notation for 1-oxa-4,7,10-triazacyclotridecane?
The canonical SMILES for 1-oxa-4,7,10-triazacyclotridecane is C1CNCCNCCNCCOC1.
What is the InChIKey of 1-oxa-4,7,10-triazacyclotridecane?
The InChIKey is ZZLCGBDKCVESMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O/c1-2-10-3-4-11-5-6-12-7-9-13-8-1/h10-12H,1-9H2.
What are the key properties of 1-oxa-4,7,10-triazacyclotridecane?
1-oxa-4,7,10-triazacyclotridecane has a molecular weight of 187.29 g/mol, XLogP of -0.82, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxa-4,7,10-triazacyclotridecane is sourced from PubChem (CID 22755933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).