acetylazanide;bis(tantalum(2+));trihydrochloride

C8H19Cl3N4O4Ta2 — CID 173471092

IUPACacetylazanide;bis(tantalum(2+));trihydrochloride
SMILESCC([NH-])=O.CC([NH-])=O.CC([NH-])=O.CC([NH-])=O.Cl.Cl.Cl.[Ta+2].[Ta+2]
InChIInChI=1S/4C2H5NO.3ClH.2Ta/c4*1-2(3)4;;;;;/h4*1H3,(H2,3,4);3*1H;;/q;;;;;;;2*+2/p-4
InChIKeyGEQIIDHCJVYBGK-UHFFFAOYSA-J
MW703.52 g/mol
LogP3.60
Rot. Bonds

About acetylazanide;bis(tantalum(2+));trihydrochloride

acetylazanide;bis(tantalum(2+));trihydrochloride (PubChem CID 173471092) has the molecular formula C8H19Cl3N4O4Ta2 and a molecular weight of 703.52 g/mol. Its IUPAC name is acetylazanide;bis(tantalum(2+));trihydrochloride.

Molecular Properties

Compound Nameacetylazanide;bis(tantalum(2+));trihydrochloride
PubChem CID173471092
Molecular FormulaC8H19Cl3N4O4Ta2
Molecular Weight703.52 g/mol
Exact Mass701.94
IUPAC Nameacetylazanide;bis(tantalum(2+));trihydrochloride
SMILESCC([NH-])=O.CC([NH-])=O.CC([NH-])=O.CC([NH-])=O.Cl.Cl.Cl.[Ta+2].[Ta+2]
InChIInChI=1S/4C2H5NO.3ClH.2Ta/c4*1-2(3)4;;;;;/h4*1H3,(H2,3,4);3*1H;;/q;;;;;;;2*+2/p-4
InChIKeyGEQIIDHCJVYBGK-UHFFFAOYSA-J
XLogP3.60
TPSA163.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500703.52
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of acetylazanide;bis(tantalum(2+));trihydrochloride?
The IUPAC name of acetylazanide;bis(tantalum(2+));trihydrochloride (CID 173471092) is acetylazanide;bis(tantalum(2+));trihydrochloride.
What is the SMILES notation for acetylazanide;bis(tantalum(2+));trihydrochloride?
The canonical SMILES for acetylazanide;bis(tantalum(2+));trihydrochloride is CC([NH-])=O.CC([NH-])=O.CC([NH-])=O.CC([NH-])=O.Cl.Cl.Cl.[Ta+2].[Ta+2].
What is the InChIKey of acetylazanide;bis(tantalum(2+));trihydrochloride?
The InChIKey is GEQIIDHCJVYBGK-UHFFFAOYSA-J. The full InChI is InChI=1S/4C2H5NO.3ClH.2Ta/c4*1-2(3)4;;;;;/h4*1H3,(H2,3,4);3*1H;;/q;;;;;;;2*+2/p-4.
What are the key properties of acetylazanide;bis(tantalum(2+));trihydrochloride?
acetylazanide;bis(tantalum(2+));trihydrochloride has a molecular weight of 703.52 g/mol, XLogP of 3.60, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetylazanide;bis(tantalum(2+));trihydrochloride is sourced from PubChem (CID 173471092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).