platinum;3-propan-2-yl-4H-pyridazin-4-ide;5-propan-2-yl-4H-pyridazin-4-ide;2-propan-2-yl-3H-pyridin-3-ide

C22H28N5Pt3-3 — CID 159125334

IUPACplatinum;3-propan-2-yl-4H-pyridazin-4-ide;5-propan-2-yl-4H-pyridazin-4-ide;2-propan-2-yl-3H-pyridin-3-ide
SMILESCC(C)c1[c-]cccn1.CC(C)c1[c-]ccnn1.CC(C)c1[c-]cnnc1.[Pt].[Pt].[Pt]
InChIInChI=1S/C8H10N.2C7H9N2.3Pt/c1-7(2)8-5-3-4-6-9-8;1-6(2)7-3-4-8-9-5-7;1-6(2)7-4-3-5-8-9-7;;;/h3-4,6-7H,1-2H3;4-6H,1-2H3;3,5-6H,1-2H3;;;/q3*-1;;;
InChIKeyHYBVOTNWGIQQKE-UHFFFAOYSA-N
MW947.73 g/mol
LogP4.80
Rot. Bonds3

About platinum;3-propan-2-yl-4H-pyridazin-4-ide;5-propan-2-yl-4H-pyridazin-4-ide;2-propan-2-yl-3H-pyridin-3-ide

platinum;3-propan-2-yl-4H-pyridazin-4-ide;5-propan-2-yl-4H-pyridazin-4-ide;2-propan-2-yl-3H-pyridin-3-ide (PubChem CID 159125334) has the molecular formula C22H28N5Pt3-3 and a molecular weight of 947.73 g/mol. Its IUPAC name is platinum;3-propan-2-yl-4H-pyridazin-4-ide;5-propan-2-yl-4H-pyridazin-4-ide;2-propan-2-yl-3H-pyridin-3-ide.

Molecular Properties

Compound Nameplatinum;3-propan-2-yl-4H-pyridazin-4-ide;5-propan-2-yl-4H-pyridazin-4-ide;2-propan-2-yl-3H-pyridin-3-ide
PubChem CID159125334
Molecular FormulaC22H28N5Pt3-3
Molecular Weight947.73 g/mol
Exact Mass947.13
IUPAC Nameplatinum;3-propan-2-yl-4H-pyridazin-4-ide;5-propan-2-yl-4H-pyridazin-4-ide;2-propan-2-yl-3H-pyridin-3-ide
SMILESCC(C)c1[c-]cccn1.CC(C)c1[c-]ccnn1.CC(C)c1[c-]cnnc1.[Pt].[Pt].[Pt]
InChIInChI=1S/C8H10N.2C7H9N2.3Pt/c1-7(2)8-5-3-4-6-9-8;1-6(2)7-3-4-8-9-5-7;1-6(2)7-4-3-5-8-9-7;;;/h3-4,6-7H,1-2H3;4-6H,1-2H3;3,5-6H,1-2H3;;;/q3*-1;;;
InChIKeyHYBVOTNWGIQQKE-UHFFFAOYSA-N
XLogP4.80
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500947.73
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of platinum;3-propan-2-yl-4H-pyridazin-4-ide;5-propan-2-yl-4H-pyridazin-4-ide;2-propan-2-yl-3H-pyridin-3-ide?
The IUPAC name of platinum;3-propan-2-yl-4H-pyridazin-4-ide;5-propan-2-yl-4H-pyridazin-4-ide;2-propan-2-yl-3H-pyridin-3-ide (CID 159125334) is platinum;3-propan-2-yl-4H-pyridazin-4-ide;5-propan-2-yl-4H-pyridazin-4-ide;2-propan-2-yl-3H-pyridin-3-ide.
What is the SMILES notation for platinum;3-propan-2-yl-4H-pyridazin-4-ide;5-propan-2-yl-4H-pyridazin-4-ide;2-propan-2-yl-3H-pyridin-3-ide?
The canonical SMILES for platinum;3-propan-2-yl-4H-pyridazin-4-ide;5-propan-2-yl-4H-pyridazin-4-ide;2-propan-2-yl-3H-pyridin-3-ide is CC(C)c1[c-]cccn1.CC(C)c1[c-]ccnn1.CC(C)c1[c-]cnnc1.[Pt].[Pt].[Pt].
What is the InChIKey of platinum;3-propan-2-yl-4H-pyridazin-4-ide;5-propan-2-yl-4H-pyridazin-4-ide;2-propan-2-yl-3H-pyridin-3-ide?
The InChIKey is HYBVOTNWGIQQKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N.2C7H9N2.3Pt/c1-7(2)8-5-3-4-6-9-8;1-6(2)7-3-4-8-9-5-7;1-6(2)7-4-3-5-8-9-7;;;/h3-4,6-7H,1-2H3;4-6H,1-2H3;3,5-6H,1-2H3;;;/q3*-1;;;.
What are the key properties of platinum;3-propan-2-yl-4H-pyridazin-4-ide;5-propan-2-yl-4H-pyridazin-4-ide;2-propan-2-yl-3H-pyridin-3-ide?
platinum;3-propan-2-yl-4H-pyridazin-4-ide;5-propan-2-yl-4H-pyridazin-4-ide;2-propan-2-yl-3H-pyridin-3-ide has a molecular weight of 947.73 g/mol, XLogP of 4.80, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for platinum;3-propan-2-yl-4H-pyridazin-4-ide;5-propan-2-yl-4H-pyridazin-4-ide;2-propan-2-yl-3H-pyridin-3-ide is sourced from PubChem (CID 159125334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).