gallium;N,N-diethylethanamine;triazide

C6H15GaN10 — CID 11808618

IUPACgallium;N,N-diethylethanamine;triazide
SMILESCCN(CC)CC.[Ga+3].[N-]=[N+]=[N-].[N-]=[N+]=[N-].[N-]=[N+]=[N-]
InChIInChI=1S/C6H15N.Ga.3N3/c1-4-7(5-2)6-3;;3*1-3-2/h4-6H2,1-3H3;;;;/q;+3;3*-1
InChIKeyPWJLNGHZXYYPSD-UHFFFAOYSA-N
MW296.98 g/mol
LogP3.57
Rot. Bonds3

About gallium;N,N-diethylethanamine;triazide

gallium;N,N-diethylethanamine;triazide (PubChem CID 11808618) has the molecular formula C6H15GaN10 and a molecular weight of 296.98 g/mol. Its IUPAC name is gallium;N,N-diethylethanamine;triazide.

Molecular Properties

Compound Namegallium;N,N-diethylethanamine;triazide
PubChem CID11808618
Molecular FormulaC6H15GaN10
Molecular Weight296.98 g/mol
Exact Mass296.07
IUPAC Namegallium;N,N-diethylethanamine;triazide
SMILESCCN(CC)CC.[Ga+3].[N-]=[N+]=[N-].[N-]=[N+]=[N-].[N-]=[N+]=[N-]
InChIInChI=1S/C6H15N.Ga.3N3/c1-4-7(5-2)6-3;;3*1-3-2/h4-6H2,1-3H3;;;;/q;+3;3*-1
InChIKeyPWJLNGHZXYYPSD-UHFFFAOYSA-N
XLogP3.57
TPSA179.34 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.98
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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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Related Compounds

N,N-diethylethanamine;ethane
CID 22114990
N,N-diethylethanamine chloride
CID 22292735
CID 175820473
CID 175820473
N,N-diethylethanamine;palladium(2+)
CID 22219787
bis(N,N-diethylethanamine);dihydrate
CID 173331052
CID 173397842
CID 173397842
N,N-diethylethanamine;λ2-stannane;dihydrochloride
CID 175189079
aluminum;N,N-diethylethanamine;trichloride
CID 86649339
N,N-diethylethanamine;ethene
CID 90857968
chromium(6+);N,N-diethylethanamine;tris(oxygen(2-))
CID 159031858
lithium;N,N-diethylethanamine;hydride
CID 161206277
N,N-diethylethanamine;hydrate;trihydrofluoride
CID 172684956

Frequently Asked Questions

What is the IUPAC name of gallium;N,N-diethylethanamine;triazide?
The IUPAC name of gallium;N,N-diethylethanamine;triazide (CID 11808618) is gallium;N,N-diethylethanamine;triazide.
What is the SMILES notation for gallium;N,N-diethylethanamine;triazide?
The canonical SMILES for gallium;N,N-diethylethanamine;triazide is CCN(CC)CC.[Ga+3].[N-]=[N+]=[N-].[N-]=[N+]=[N-].[N-]=[N+]=[N-].
What is the InChIKey of gallium;N,N-diethylethanamine;triazide?
The InChIKey is PWJLNGHZXYYPSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N.Ga.3N3/c1-4-7(5-2)6-3;;3*1-3-2/h4-6H2,1-3H3;;;;/q;+3;3*-1.
What are the key properties of gallium;N,N-diethylethanamine;triazide?
gallium;N,N-diethylethanamine;triazide has a molecular weight of 296.98 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for gallium;N,N-diethylethanamine;triazide is sourced from PubChem (CID 11808618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).