dimethylazanide;tris(2-methylpyrrol-2-ide);titanium(4+)

C17H24N4Ti — CID 19089615

IUPACdimethylazanide;tris(2-methylpyrrol-2-ide);titanium(4+)
SMILESC[N-]C.C[c-]1cccn1.C[c-]1cccn1.C[c-]1cccn1.[Ti+4]
InChIInChI=1S/3C5H6N.C2H6N.Ti/c3*1-5-3-2-4-6-5;1-3-2;/h3*2-4H,1H3;1-2H3;/q4*-1;+4
InChIKeyHAEXMDGTWGXMFY-UHFFFAOYSA-N
MW332.27 g/mol
LogP3.94
Rot. Bonds

About dimethylazanide;tris(2-methylpyrrol-2-ide);titanium(4+)

dimethylazanide;tris(2-methylpyrrol-2-ide);titanium(4+) (PubChem CID 19089615) has the molecular formula C17H24N4Ti and a molecular weight of 332.27 g/mol. Its IUPAC name is dimethylazanide;tris(2-methylpyrrol-2-ide);titanium(4+).

Molecular Properties

Compound Namedimethylazanide;tris(2-methylpyrrol-2-ide);titanium(4+)
PubChem CID19089615
Molecular FormulaC17H24N4Ti
Molecular Weight332.27 g/mol
Exact Mass332.15
IUPAC Namedimethylazanide;tris(2-methylpyrrol-2-ide);titanium(4+)
SMILESC[N-]C.C[c-]1cccn1.C[c-]1cccn1.C[c-]1cccn1.[Ti+4]
InChIInChI=1S/3C5H6N.C2H6N.Ti/c3*1-5-3-2-4-6-5;1-3-2;/h3*2-4H,1H3;1-2H3;/q4*-1;+4
InChIKeyHAEXMDGTWGXMFY-UHFFFAOYSA-N
XLogP3.94
TPSA52.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.27
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dimethylazanide;tris(2-methylpyrrol-2-ide);titanium(4+)?
The IUPAC name of dimethylazanide;tris(2-methylpyrrol-2-ide);titanium(4+) (CID 19089615) is dimethylazanide;tris(2-methylpyrrol-2-ide);titanium(4+).
What is the SMILES notation for dimethylazanide;tris(2-methylpyrrol-2-ide);titanium(4+)?
The canonical SMILES for dimethylazanide;tris(2-methylpyrrol-2-ide);titanium(4+) is C[N-]C.C[c-]1cccn1.C[c-]1cccn1.C[c-]1cccn1.[Ti+4].
What is the InChIKey of dimethylazanide;tris(2-methylpyrrol-2-ide);titanium(4+)?
The InChIKey is HAEXMDGTWGXMFY-UHFFFAOYSA-N. The full InChI is InChI=1S/3C5H6N.C2H6N.Ti/c3*1-5-3-2-4-6-5;1-3-2;/h3*2-4H,1H3;1-2H3;/q4*-1;+4.
What are the key properties of dimethylazanide;tris(2-methylpyrrol-2-ide);titanium(4+)?
dimethylazanide;tris(2-methylpyrrol-2-ide);titanium(4+) has a molecular weight of 332.27 g/mol, XLogP of 3.94, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylazanide;tris(2-methylpyrrol-2-ide);titanium(4+) is sourced from PubChem (CID 19089615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).