titanium(4+) diazide

N6Ti+2 — CID 18957614

IUPACtitanium(4+) diazide
SMILES[N-]=[N+]=[N-].[N-]=[N+]=[N-].[Ti+4]
InChIInChI=1S/2N3.Ti/c2*1-3-2;/q2*-1;+4
InChIKeyQAIQZTNPRRBYDP-UHFFFAOYSA-N
MW131.91 g/mol
LogP1.73
Rot. Bonds

About titanium(4+) diazide

titanium(4+) diazide (PubChem CID 18957614) has the molecular formula N6Ti+2 and a molecular weight of 131.91 g/mol. Its IUPAC name is titanium(4+) diazide.

Molecular Properties

Compound Nametitanium(4+) diazide
PubChem CID18957614
Molecular FormulaN6Ti+2
Molecular Weight131.91 g/mol
Exact Mass131.97
IUPAC Nametitanium(4+) diazide
SMILES[N-]=[N+]=[N-].[N-]=[N+]=[N-].[Ti+4]
InChIInChI=1S/2N3.Ti/c2*1-3-2;/q2*-1;+4
InChIKeyQAIQZTNPRRBYDP-UHFFFAOYSA-N
XLogP1.73
TPSA117.40 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.91
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of titanium(4+) diazide?
The IUPAC name of titanium(4+) diazide (CID 18957614) is titanium(4+) diazide.
What is the SMILES notation for titanium(4+) diazide?
The canonical SMILES for titanium(4+) diazide is [N-]=[N+]=[N-].[N-]=[N+]=[N-].[Ti+4].
What is the InChIKey of titanium(4+) diazide?
The InChIKey is QAIQZTNPRRBYDP-UHFFFAOYSA-N. The full InChI is InChI=1S/2N3.Ti/c2*1-3-2;/q2*-1;+4.
What are the key properties of titanium(4+) diazide?
titanium(4+) diazide has a molecular weight of 131.91 g/mol, XLogP of 1.73, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for titanium(4+) diazide is sourced from PubChem (CID 18957614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).