Tris(diethylazanide);3,5-dimethylpyrazol-1-ide;titanium(4+)

C₁₇H₃₇N₅Ti — CID 169023801

About Tris(diethylazanide);3,5-dimethylpyrazol-1-ide;titanium(4+)

Tris(diethylazanide);3,5-dimethylpyrazol-1-ide;titanium(4+) (PubChem CID 169023801) has the molecular formula C₁₇H₃₇N₅Ti and a molecular weight of 359.39 g/mol. Its IUPAC name is tris(diethylazanide);3,5-dimethylpyrazol-1-ide;titanium(4+).

Molecular Properties

• Compound Name: Tris(diethylazanide);3,5-dimethylpyrazol-1-ide;titanium(4+)
• PubChem CID: 169023801
• Molecular Formula: C₁₇H₃₇N₅Ti
• Molecular Weight: 359.39 g/mol
• Exact Mass: 359.25
• IUPAC Name: tris(diethylazanide);3,5-dimethylpyrazol-1-ide;titanium(4+)
• SMILES: CC[N-]CC.CC[N-]CC.CC[N-]CC.Cc1cc(C)[n-]n1.[Ti+4]
• InChI: InChI=1S/C5H7N2.3C4H10N.Ti/c1-4-3-5(2)7-6-4;3*1-3-5-4-2;/h3H,1-2H3;3*3-4H2,1-2H3;/q4*-1;+4
• InChIKey: WZNFEDQOKUXSAX-UHFFFAOYSA-N
• XLogP: 4.85
• TPSA: 69.29 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 6
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	359.39
LogP ≤ 5	4.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of Tris(diethylazanide);3,5-dimethylpyrazol-1-ide;titanium(4+)?

The IUPAC name of Tris(diethylazanide);3,5-dimethylpyrazol-1-ide;titanium(4+) (CID 169023801) is tris(diethylazanide);3,5-dimethylpyrazol-1-ide;titanium(4+).

What is the SMILES notation for Tris(diethylazanide);3,5-dimethylpyrazol-1-ide;titanium(4+)?

The canonical SMILES for Tris(diethylazanide);3,5-dimethylpyrazol-1-ide;titanium(4+) is CC[N-]CC.CC[N-]CC.CC[N-]CC.Cc1cc(C)[n-]n1.[Ti+4].

What is the InChIKey of Tris(diethylazanide);3,5-dimethylpyrazol-1-ide;titanium(4+)?

The InChIKey is WZNFEDQOKUXSAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N2.3C4H10N.Ti/c1-4-3-5(2)7-6-4;3*1-3-5-4-2;/h3H,1-2H3;3*3-4H2,1-2H3;/q4*-1;+4.

What are the key properties of Tris(diethylazanide);3,5-dimethylpyrazol-1-ide;titanium(4+)?

Tris(diethylazanide);3,5-dimethylpyrazol-1-ide;titanium(4+) has a molecular weight of 359.39 g/mol, XLogP of 4.85, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for Tris(diethylazanide);3,5-dimethylpyrazol-1-ide;titanium(4+) is sourced from PubChem (CID 169023801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 169023801 — identifiers, structure, computed properties (public domain)

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