ethane-1,1,2-triamine;technetium(5+);pentaacetate

C12H24N3O10Tc — CID 173284833

IUPACethane-1,1,2-triamine;technetium(5+);pentaacetate
SMILESCC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].NCC(N)N.[Tc+5]
InChIInChI=1S/C2H9N3.5C2H4O2.Tc/c3-1-2(4)5;5*1-2(3)4;/h2H,1,3-5H2;5*1H3,(H,3,4);/q;;;;;;+5/p-5
InChIKeyDAHHAJPBYXQWDQ-UHFFFAOYSA-I
MW468.34 g/mol
LogP-8.03
Rot. Bonds1

About ethane-1,1,2-triamine;technetium(5+);pentaacetate

ethane-1,1,2-triamine;technetium(5+);pentaacetate (PubChem CID 173284833) has the molecular formula C12H24N3O10Tc and a molecular weight of 468.34 g/mol. Its IUPAC name is ethane-1,1,2-triamine;technetium(5+);pentaacetate.

Molecular Properties

Compound Nameethane-1,1,2-triamine;technetium(5+);pentaacetate
PubChem CID173284833
Molecular FormulaC12H24N3O10Tc
Molecular Weight468.34 g/mol
Exact Mass467.05
IUPAC Nameethane-1,1,2-triamine;technetium(5+);pentaacetate
SMILESCC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].NCC(N)N.[Tc+5]
InChIInChI=1S/C2H9N3.5C2H4O2.Tc/c3-1-2(4)5;5*1-2(3)4;/h2H,1,3-5H2;5*1H3,(H,3,4);/q;;;;;;+5/p-5
InChIKeyDAHHAJPBYXQWDQ-UHFFFAOYSA-I
XLogP-8.03
TPSA278.71 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.34
LogP ≤ 5-8.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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diazanium;zinc;ethane-1,2-diamine;tetraacetate
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disodium;ethane-1,2-diamine;diacetate;dihydrate
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Frequently Asked Questions

What is the IUPAC name of ethane-1,1,2-triamine;technetium(5+);pentaacetate?
The IUPAC name of ethane-1,1,2-triamine;technetium(5+);pentaacetate (CID 173284833) is ethane-1,1,2-triamine;technetium(5+);pentaacetate.
What is the SMILES notation for ethane-1,1,2-triamine;technetium(5+);pentaacetate?
The canonical SMILES for ethane-1,1,2-triamine;technetium(5+);pentaacetate is CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].NCC(N)N.[Tc+5].
What is the InChIKey of ethane-1,1,2-triamine;technetium(5+);pentaacetate?
The InChIKey is DAHHAJPBYXQWDQ-UHFFFAOYSA-I. The full InChI is InChI=1S/C2H9N3.5C2H4O2.Tc/c3-1-2(4)5;5*1-2(3)4;/h2H,1,3-5H2;5*1H3,(H,3,4);/q;;;;;;+5/p-5.
What are the key properties of ethane-1,1,2-triamine;technetium(5+);pentaacetate?
ethane-1,1,2-triamine;technetium(5+);pentaacetate has a molecular weight of 468.34 g/mol, XLogP of -8.03, 1 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,1,2-triamine;technetium(5+);pentaacetate is sourced from PubChem (CID 173284833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).