tris(dimethylazanide);3,5-dimethylpyrazol-1-ide;titanium(4+)

C11H25N5Ti — CID 169023761

IUPACtris(dimethylazanide);3,5-dimethylpyrazol-1-ide;titanium(4+)
SMILESC[N-]C.C[N-]C.C[N-]C.Cc1cc(C)[n-]n1.[Ti+4]
InChIInChI=1S/C5H7N2.3C2H6N.Ti/c1-4-3-5(2)7-6-4;3*1-3-2;/h3H,1-2H3;3*1-2H3;/q4*-1;+4
InChIKeyJEALUZNJFCEHGT-UHFFFAOYSA-N
MW275.22 g/mol
LogP2.51
Rot. Bonds

About tris(dimethylazanide);3,5-dimethylpyrazol-1-ide;titanium(4+)

tris(dimethylazanide);3,5-dimethylpyrazol-1-ide;titanium(4+) (PubChem CID 169023761) has the molecular formula C11H25N5Ti and a molecular weight of 275.22 g/mol. Its IUPAC name is tris(dimethylazanide);3,5-dimethylpyrazol-1-ide;titanium(4+).

Molecular Properties

Compound Nametris(dimethylazanide);3,5-dimethylpyrazol-1-ide;titanium(4+)
PubChem CID169023761
Molecular FormulaC11H25N5Ti
Molecular Weight275.22 g/mol
Exact Mass275.16
IUPAC Nametris(dimethylazanide);3,5-dimethylpyrazol-1-ide;titanium(4+)
SMILESC[N-]C.C[N-]C.C[N-]C.Cc1cc(C)[n-]n1.[Ti+4]
InChIInChI=1S/C5H7N2.3C2H6N.Ti/c1-4-3-5(2)7-6-4;3*1-3-2;/h3H,1-2H3;3*1-2H3;/q4*-1;+4
InChIKeyJEALUZNJFCEHGT-UHFFFAOYSA-N
XLogP2.51
TPSA69.29 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.22
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of tris(dimethylazanide);3,5-dimethylpyrazol-1-ide;titanium(4+)?
The IUPAC name of tris(dimethylazanide);3,5-dimethylpyrazol-1-ide;titanium(4+) (CID 169023761) is tris(dimethylazanide);3,5-dimethylpyrazol-1-ide;titanium(4+).
What is the SMILES notation for tris(dimethylazanide);3,5-dimethylpyrazol-1-ide;titanium(4+)?
The canonical SMILES for tris(dimethylazanide);3,5-dimethylpyrazol-1-ide;titanium(4+) is C[N-]C.C[N-]C.C[N-]C.Cc1cc(C)[n-]n1.[Ti+4].
What is the InChIKey of tris(dimethylazanide);3,5-dimethylpyrazol-1-ide;titanium(4+)?
The InChIKey is JEALUZNJFCEHGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N2.3C2H6N.Ti/c1-4-3-5(2)7-6-4;3*1-3-2;/h3H,1-2H3;3*1-2H3;/q4*-1;+4.
What are the key properties of tris(dimethylazanide);3,5-dimethylpyrazol-1-ide;titanium(4+)?
tris(dimethylazanide);3,5-dimethylpyrazol-1-ide;titanium(4+) has a molecular weight of 275.22 g/mol, XLogP of 2.51, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tris(dimethylazanide);3,5-dimethylpyrazol-1-ide;titanium(4+) is sourced from PubChem (CID 169023761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).