gold(3+);bis(propane-1,2-diamine);trichloride

C6H20AuCl3N4 — CID 73456733

IUPACgold(3+);bis(propane-1,2-diamine);trichloride
SMILESCC(N)CN.CC(N)CN.[Au+3].[Cl-].[Cl-].[Cl-]
InChIInChI=1S/2C3H10N2.Au.3ClH/c2*1-3(5)2-4;;;;/h2*3H,2,4-5H2,1H3;;3*1H/q;;+3;;;/p-3
InChIKeyHJXJKSICZVVATF-UHFFFAOYSA-K
MW451.58 g/mol
LogP-10.41
Rot. Bonds2

About gold(3+);bis(propane-1,2-diamine);trichloride

gold(3+);bis(propane-1,2-diamine);trichloride (PubChem CID 73456733) has the molecular formula C6H20AuCl3N4 and a molecular weight of 451.58 g/mol. Its IUPAC name is gold(3+);bis(propane-1,2-diamine);trichloride.

Molecular Properties

Compound Namegold(3+);bis(propane-1,2-diamine);trichloride
PubChem CID73456733
Molecular FormulaC6H20AuCl3N4
Molecular Weight451.58 g/mol
Exact Mass450.04
IUPAC Namegold(3+);bis(propane-1,2-diamine);trichloride
SMILESCC(N)CN.CC(N)CN.[Au+3].[Cl-].[Cl-].[Cl-]
InChIInChI=1S/2C3H10N2.Au.3ClH/c2*1-3(5)2-4;;;;/h2*3H,2,4-5H2,1H3;;3*1H/q;;+3;;;/p-3
InChIKeyHJXJKSICZVVATF-UHFFFAOYSA-K
XLogP-10.41
TPSA104.08 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.58
LogP ≤ 5-10.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of gold(3+);bis(propane-1,2-diamine);trichloride?
The IUPAC name of gold(3+);bis(propane-1,2-diamine);trichloride (CID 73456733) is gold(3+);bis(propane-1,2-diamine);trichloride.
What is the SMILES notation for gold(3+);bis(propane-1,2-diamine);trichloride?
The canonical SMILES for gold(3+);bis(propane-1,2-diamine);trichloride is CC(N)CN.CC(N)CN.[Au+3].[Cl-].[Cl-].[Cl-].
What is the InChIKey of gold(3+);bis(propane-1,2-diamine);trichloride?
The InChIKey is HJXJKSICZVVATF-UHFFFAOYSA-K. The full InChI is InChI=1S/2C3H10N2.Au.3ClH/c2*1-3(5)2-4;;;;/h2*3H,2,4-5H2,1H3;;3*1H/q;;+3;;;/p-3.
What are the key properties of gold(3+);bis(propane-1,2-diamine);trichloride?
gold(3+);bis(propane-1,2-diamine);trichloride has a molecular weight of 451.58 g/mol, XLogP of -10.41, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for gold(3+);bis(propane-1,2-diamine);trichloride is sourced from PubChem (CID 73456733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).