bis(dimethylazanide);bis(methyl(pyridin-2-yl)azanide);titanium(4+)

C16H26N6Ti — CID 139063505

IUPACbis(dimethylazanide);bis(methyl(pyridin-2-yl)azanide);titanium(4+)
SMILESC[N-]C.C[N-]C.C[N-]c1ccccn1.C[N-]c1ccccn1.[Ti+4]
InChIInChI=1S/2C6H7N2.2C2H6N.Ti/c2*1-7-6-4-2-3-5-8-6;2*1-3-2;/h2*2-5H,1H3;2*1-2H3;/q4*-1;+4
InChIKeyHLURUNRULMKNDD-UHFFFAOYSA-N
MW350.29 g/mol
LogP4.67
Rot. Bonds2

About bis(dimethylazanide);bis(methyl(pyridin-2-yl)azanide);titanium(4+)

bis(dimethylazanide);bis(methyl(pyridin-2-yl)azanide);titanium(4+) (PubChem CID 139063505) has the molecular formula C16H26N6Ti and a molecular weight of 350.29 g/mol. Its IUPAC name is bis(dimethylazanide);bis(methyl(pyridin-2-yl)azanide);titanium(4+).

Molecular Properties

Compound Namebis(dimethylazanide);bis(methyl(pyridin-2-yl)azanide);titanium(4+)
PubChem CID139063505
Molecular FormulaC16H26N6Ti
Molecular Weight350.29 g/mol
Exact Mass350.17
IUPAC Namebis(dimethylazanide);bis(methyl(pyridin-2-yl)azanide);titanium(4+)
SMILESC[N-]C.C[N-]C.C[N-]c1ccccn1.C[N-]c1ccccn1.[Ti+4]
InChIInChI=1S/2C6H7N2.2C2H6N.Ti/c2*1-7-6-4-2-3-5-8-6;2*1-3-2;/h2*2-5H,1H3;2*1-2H3;/q4*-1;+4
InChIKeyHLURUNRULMKNDD-UHFFFAOYSA-N
XLogP4.67
TPSA82.18 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.29
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of bis(dimethylazanide);bis(methyl(pyridin-2-yl)azanide);titanium(4+)?
The IUPAC name of bis(dimethylazanide);bis(methyl(pyridin-2-yl)azanide);titanium(4+) (CID 139063505) is bis(dimethylazanide);bis(methyl(pyridin-2-yl)azanide);titanium(4+).
What is the SMILES notation for bis(dimethylazanide);bis(methyl(pyridin-2-yl)azanide);titanium(4+)?
The canonical SMILES for bis(dimethylazanide);bis(methyl(pyridin-2-yl)azanide);titanium(4+) is C[N-]C.C[N-]C.C[N-]c1ccccn1.C[N-]c1ccccn1.[Ti+4].
What is the InChIKey of bis(dimethylazanide);bis(methyl(pyridin-2-yl)azanide);titanium(4+)?
The InChIKey is HLURUNRULMKNDD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H7N2.2C2H6N.Ti/c2*1-7-6-4-2-3-5-8-6;2*1-3-2;/h2*2-5H,1H3;2*1-2H3;/q4*-1;+4.
What are the key properties of bis(dimethylazanide);bis(methyl(pyridin-2-yl)azanide);titanium(4+)?
bis(dimethylazanide);bis(methyl(pyridin-2-yl)azanide);titanium(4+) has a molecular weight of 350.29 g/mol, XLogP of 4.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(dimethylazanide);bis(methyl(pyridin-2-yl)azanide);titanium(4+) is sourced from PubChem (CID 139063505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).