bis(dimethylazanide);bis(6-methylpyridin-2-olate);titanium(4+)

C16H24N4O2Ti — CID 122229876

IUPACbis(dimethylazanide);bis(6-methylpyridin-2-olate);titanium(4+)
SMILESC[N-]C.C[N-]C.Cc1cccc([O-])n1.Cc1cccc([O-])n1.[Ti+4]
InChIInChI=1S/2C6H7NO.2C2H6N.Ti/c2*1-5-3-2-4-6(8)7-5;2*1-3-2;/h2*2-4H,1H3,(H,7,8);2*1-2H3;/q;;2*-1;+4/p-2
InChIKeyPXGMHEBUQUNNRU-UHFFFAOYSA-L
MW352.26 g/mol
LogP2.16
Rot. Bonds

About bis(dimethylazanide);bis(6-methylpyridin-2-olate);titanium(4+)

bis(dimethylazanide);bis(6-methylpyridin-2-olate);titanium(4+) (PubChem CID 122229876) has the molecular formula C16H24N4O2Ti and a molecular weight of 352.26 g/mol. Its IUPAC name is bis(dimethylazanide);bis(6-methylpyridin-2-olate);titanium(4+).

Molecular Properties

Compound Namebis(dimethylazanide);bis(6-methylpyridin-2-olate);titanium(4+)
PubChem CID122229876
Molecular FormulaC16H24N4O2Ti
Molecular Weight352.26 g/mol
Exact Mass352.14
IUPAC Namebis(dimethylazanide);bis(6-methylpyridin-2-olate);titanium(4+)
SMILESC[N-]C.C[N-]C.Cc1cccc([O-])n1.Cc1cccc([O-])n1.[Ti+4]
InChIInChI=1S/2C6H7NO.2C2H6N.Ti/c2*1-5-3-2-4-6(8)7-5;2*1-3-2;/h2*2-4H,1H3,(H,7,8);2*1-2H3;/q;;2*-1;+4/p-2
InChIKeyPXGMHEBUQUNNRU-UHFFFAOYSA-L
XLogP2.16
TPSA100.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.26
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of bis(dimethylazanide);bis(6-methylpyridin-2-olate);titanium(4+)?
The IUPAC name of bis(dimethylazanide);bis(6-methylpyridin-2-olate);titanium(4+) (CID 122229876) is bis(dimethylazanide);bis(6-methylpyridin-2-olate);titanium(4+).
What is the SMILES notation for bis(dimethylazanide);bis(6-methylpyridin-2-olate);titanium(4+)?
The canonical SMILES for bis(dimethylazanide);bis(6-methylpyridin-2-olate);titanium(4+) is C[N-]C.C[N-]C.Cc1cccc([O-])n1.Cc1cccc([O-])n1.[Ti+4].
What is the InChIKey of bis(dimethylazanide);bis(6-methylpyridin-2-olate);titanium(4+)?
The InChIKey is PXGMHEBUQUNNRU-UHFFFAOYSA-L. The full InChI is InChI=1S/2C6H7NO.2C2H6N.Ti/c2*1-5-3-2-4-6(8)7-5;2*1-3-2;/h2*2-4H,1H3,(H,7,8);2*1-2H3;/q;;2*-1;+4/p-2.
What are the key properties of bis(dimethylazanide);bis(6-methylpyridin-2-olate);titanium(4+)?
bis(dimethylazanide);bis(6-methylpyridin-2-olate);titanium(4+) has a molecular weight of 352.26 g/mol, XLogP of 2.16, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(dimethylazanide);bis(6-methylpyridin-2-olate);titanium(4+) is sourced from PubChem (CID 122229876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).