tris(pyrrolidin-1-ide);titanium(4+);3,4,5-trimethylpyrazol-1-ide

C18H33N5Ti — CID 169023747

IUPACtris(pyrrolidin-1-ide);titanium(4+);3,4,5-trimethylpyrazol-1-ide
SMILESC1CC[N-]C1.C1CC[N-]C1.C1CC[N-]C1.Cc1n[n-]c(C)c1C.[Ti+4]
InChIInChI=1S/C6H9N2.3C4H8N.Ti/c1-4-5(2)7-8-6(4)3;3*1-2-4-5-3-1;/h1-3H3;3*1-4H2;/q4*-1;+4
InChIKeyISFFHQOLIBHBKA-UHFFFAOYSA-N
MW367.36 g/mol
LogP4.42
Rot. Bonds

About tris(pyrrolidin-1-ide);titanium(4+);3,4,5-trimethylpyrazol-1-ide

tris(pyrrolidin-1-ide);titanium(4+);3,4,5-trimethylpyrazol-1-ide (PubChem CID 169023747) has the molecular formula C18H33N5Ti and a molecular weight of 367.36 g/mol. Its IUPAC name is tris(pyrrolidin-1-ide);titanium(4+);3,4,5-trimethylpyrazol-1-ide.

Molecular Properties

Compound Nametris(pyrrolidin-1-ide);titanium(4+);3,4,5-trimethylpyrazol-1-ide
PubChem CID169023747
Molecular FormulaC18H33N5Ti
Molecular Weight367.36 g/mol
Exact Mass367.22
IUPAC Nametris(pyrrolidin-1-ide);titanium(4+);3,4,5-trimethylpyrazol-1-ide
SMILESC1CC[N-]C1.C1CC[N-]C1.C1CC[N-]C1.Cc1n[n-]c(C)c1C.[Ti+4]
InChIInChI=1S/C6H9N2.3C4H8N.Ti/c1-4-5(2)7-8-6(4)3;3*1-2-4-5-3-1;/h1-3H3;3*1-4H2;/q4*-1;+4
InChIKeyISFFHQOLIBHBKA-UHFFFAOYSA-N
XLogP4.42
TPSA69.29 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.36
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of tris(pyrrolidin-1-ide);titanium(4+);3,4,5-trimethylpyrazol-1-ide?
The IUPAC name of tris(pyrrolidin-1-ide);titanium(4+);3,4,5-trimethylpyrazol-1-ide (CID 169023747) is tris(pyrrolidin-1-ide);titanium(4+);3,4,5-trimethylpyrazol-1-ide.
What is the SMILES notation for tris(pyrrolidin-1-ide);titanium(4+);3,4,5-trimethylpyrazol-1-ide?
The canonical SMILES for tris(pyrrolidin-1-ide);titanium(4+);3,4,5-trimethylpyrazol-1-ide is C1CC[N-]C1.C1CC[N-]C1.C1CC[N-]C1.Cc1n[n-]c(C)c1C.[Ti+4].
What is the InChIKey of tris(pyrrolidin-1-ide);titanium(4+);3,4,5-trimethylpyrazol-1-ide?
The InChIKey is ISFFHQOLIBHBKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N2.3C4H8N.Ti/c1-4-5(2)7-8-6(4)3;3*1-2-4-5-3-1;/h1-3H3;3*1-4H2;/q4*-1;+4.
What are the key properties of tris(pyrrolidin-1-ide);titanium(4+);3,4,5-trimethylpyrazol-1-ide?
tris(pyrrolidin-1-ide);titanium(4+);3,4,5-trimethylpyrazol-1-ide has a molecular weight of 367.36 g/mol, XLogP of 4.42, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tris(pyrrolidin-1-ide);titanium(4+);3,4,5-trimethylpyrazol-1-ide is sourced from PubChem (CID 169023747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).