1-(1H-inden-1-id-2-yl)tetrazole;1,2,3,5-tetramethylcyclopenta-1,3-diene;zirconium(4+);dichloride

C19H20Cl2N4Zr — CID 157468441

About 1-(1H-inden-1-id-2-yl)tetrazole;1,2,3,5-tetramethylcyclopenta-1,3-diene;zirconium(4+);dichloride

1-(1H-inden-1-id-2-yl)tetrazole;1,2,3,5-tetramethylcyclopenta-1,3-diene;zirconium(4+);dichloride (PubChem CID 157468441) has the molecular formula C19H20Cl2N4Zr and a molecular weight of 466.53 g/mol. Its IUPAC name is 1-(1H-inden-1-id-2-yl)tetrazole;1,2,3,5-tetramethylcyclopenta-1,3-diene;zirconium(4+);dichloride.

Molecular Properties

• Compound Name: 1-(1H-inden-1-id-2-yl)tetrazole;1,2,3,5-tetramethylcyclopenta-1,3-diene;zirconium(4+);dichloride
• PubChem CID: 157468441
• Molecular Formula: C19H20Cl2N4Zr
• Molecular Weight: 466.53 g/mol
• Exact Mass: 464.01
• IUPAC Name: 1-(1H-inden-1-id-2-yl)tetrazole;1,2,3,5-tetramethylcyclopenta-1,3-diene;zirconium(4+);dichloride
• SMILES: Cc1c[c-](C)c(C)c1C.[Cl-].[Cl-].[Zr+4].c1ccc2[cH-]c(-n3cnnn3)cc2c1
• InChI: InChI=1S/C10H7N4.C9H13.2ClH.Zr/c1-2-4-9-6-10(5-8(9)3-1)14-7-11-12-13-14;1-6-5-7(2)9(4)8(6)3;;;/h1-7H;5H,1-4H3;2*1H;/q2*-1;;;+4/p-2
• InChIKey: MBQOUUAWKQNNGX-UHFFFAOYSA-L
• XLogP: -1.82
• TPSA: 43.60 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 1
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	466.53
LogP ≤ 5	-1.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(1H-inden-1-id-2-yl)tetrazole;1,2,3,5-tetramethylcyclopenta-1,3-diene;zirconium(4+);dichloride?

The IUPAC name of 1-(1H-inden-1-id-2-yl)tetrazole;1,2,3,5-tetramethylcyclopenta-1,3-diene;zirconium(4+);dichloride (CID 157468441) is 1-(1H-inden-1-id-2-yl)tetrazole;1,2,3,5-tetramethylcyclopenta-1,3-diene;zirconium(4+);dichloride.

What is the SMILES notation for 1-(1H-inden-1-id-2-yl)tetrazole;1,2,3,5-tetramethylcyclopenta-1,3-diene;zirconium(4+);dichloride?

The canonical SMILES for 1-(1H-inden-1-id-2-yl)tetrazole;1,2,3,5-tetramethylcyclopenta-1,3-diene;zirconium(4+);dichloride is Cc1c[c-](C)c(C)c1C.[Cl-].[Cl-].[Zr+4].c1ccc2[cH-]c(-n3cnnn3)cc2c1.

What is the InChIKey of 1-(1H-inden-1-id-2-yl)tetrazole;1,2,3,5-tetramethylcyclopenta-1,3-diene;zirconium(4+);dichloride?

The InChIKey is MBQOUUAWKQNNGX-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H7N4.C9H13.2ClH.Zr/c1-2-4-9-6-10(5-8(9)3-1)14-7-11-12-13-14;1-6-5-7(2)9(4)8(6)3;;;/h1-7H;5H,1-4H3;2*1H;/q2*-1;;;+4/p-2.

What are the key properties of 1-(1H-inden-1-id-2-yl)tetrazole;1,2,3,5-tetramethylcyclopenta-1,3-diene;zirconium(4+);dichloride?

1-(1H-inden-1-id-2-yl)tetrazole;1,2,3,5-tetramethylcyclopenta-1,3-diene;zirconium(4+);dichloride has a molecular weight of 466.53 g/mol, XLogP of -1.82, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1H-inden-1-id-2-yl)tetrazole;1,2,3,5-tetramethylcyclopenta-1,3-diene;zirconium(4+);dichloride is sourced from PubChem (CID 157468441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).