3-hydroxy-1,5,8,11-tetraza-3λ5-phosphacyclotridecane 3-oxide

C8H21N4O2P — CID 20614905

IUPAC3-hydroxy-1,5,8,11-tetraza-3λ5-phosphacyclotridecane 3-oxide
SMILESO=P1(O)CNCCNCCNCCNC1
InChIInChI=1S/C8H21N4O2P/c13-15(14)7-11-5-3-9-1-2-10-4-6-12-8-15/h9-12H,1-8H2,(H,13,14)
InChIKeyQOGMPNNTRWAXGF-UHFFFAOYSA-N
MW236.26 g/mol
LogP-1.46
Rot. Bonds

About 3-hydroxy-1,5,8,11-tetraza-3λ5-phosphacyclotridecane 3-oxide

3-hydroxy-1,5,8,11-tetraza-3λ5-phosphacyclotridecane 3-oxide (PubChem CID 20614905) has the molecular formula C8H21N4O2P and a molecular weight of 236.26 g/mol. Its IUPAC name is 3-hydroxy-1,5,8,11-tetraza-3λ5-phosphacyclotridecane 3-oxide.

Molecular Properties

Compound Name3-hydroxy-1,5,8,11-tetraza-3λ5-phosphacyclotridecane 3-oxide
PubChem CID20614905
Molecular FormulaC8H21N4O2P
Molecular Weight236.26 g/mol
Exact Mass236.14
IUPAC Name3-hydroxy-1,5,8,11-tetraza-3λ5-phosphacyclotridecane 3-oxide
SMILESO=P1(O)CNCCNCCNCCNC1
InChIInChI=1S/C8H21N4O2P/c13-15(14)7-11-5-3-9-1-2-10-4-6-12-8-15/h9-12H,1-8H2,(H,13,14)
InChIKeyQOGMPNNTRWAXGF-UHFFFAOYSA-N
XLogP-1.46
TPSA85.42 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 5-1.46
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1,5,8,11-tetraza-3λ5-phosphacyclotridecane 3-oxide?
The IUPAC name of 3-hydroxy-1,5,8,11-tetraza-3λ5-phosphacyclotridecane 3-oxide (CID 20614905) is 3-hydroxy-1,5,8,11-tetraza-3λ5-phosphacyclotridecane 3-oxide.
What is the SMILES notation for 3-hydroxy-1,5,8,11-tetraza-3λ5-phosphacyclotridecane 3-oxide?
The canonical SMILES for 3-hydroxy-1,5,8,11-tetraza-3λ5-phosphacyclotridecane 3-oxide is O=P1(O)CNCCNCCNCCNC1.
What is the InChIKey of 3-hydroxy-1,5,8,11-tetraza-3λ5-phosphacyclotridecane 3-oxide?
The InChIKey is QOGMPNNTRWAXGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H21N4O2P/c13-15(14)7-11-5-3-9-1-2-10-4-6-12-8-15/h9-12H,1-8H2,(H,13,14).
What are the key properties of 3-hydroxy-1,5,8,11-tetraza-3λ5-phosphacyclotridecane 3-oxide?
3-hydroxy-1,5,8,11-tetraza-3λ5-phosphacyclotridecane 3-oxide has a molecular weight of 236.26 g/mol, XLogP of -1.46, 0 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1,5,8,11-tetraza-3λ5-phosphacyclotridecane 3-oxide is sourced from PubChem (CID 20614905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).