dimethylaminoazanium azide

C2H9N5 — CID 158951786

IUPACdimethylaminoazanium azide
SMILESCN(C)[NH3+].[N-]=[N+]=[N-]
InChIInChI=1S/C2H8N2.N3/c1-4(2)3;1-3-2/h3H2,1-2H3;/q;-1/p+1
InChIKeyJLNDJYQTPZQYOV-UHFFFAOYSA-O
MW103.13 g/mol
LogP-0.43
Rot. Bonds

About dimethylaminoazanium azide

dimethylaminoazanium azide (PubChem CID 158951786) has the molecular formula C2H9N5 and a molecular weight of 103.13 g/mol. Its IUPAC name is dimethylaminoazanium azide.

Molecular Properties

Compound Namedimethylaminoazanium azide
PubChem CID158951786
Molecular FormulaC2H9N5
Molecular Weight103.13 g/mol
Exact Mass103.09
IUPAC Namedimethylaminoazanium azide
SMILESCN(C)[NH3+].[N-]=[N+]=[N-]
InChIInChI=1S/C2H8N2.N3/c1-4(2)3;1-3-2/h3H2,1-2H3;/q;-1/p+1
InChIKeyJLNDJYQTPZQYOV-UHFFFAOYSA-O
XLogP-0.43
TPSA89.58 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.13
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dimethylaminoazanium azide?
The IUPAC name of dimethylaminoazanium azide (CID 158951786) is dimethylaminoazanium azide.
What is the SMILES notation for dimethylaminoazanium azide?
The canonical SMILES for dimethylaminoazanium azide is CN(C)[NH3+].[N-]=[N+]=[N-].
What is the InChIKey of dimethylaminoazanium azide?
The InChIKey is JLNDJYQTPZQYOV-UHFFFAOYSA-O. The full InChI is InChI=1S/C2H8N2.N3/c1-4(2)3;1-3-2/h3H2,1-2H3;/q;-1/p+1.
What are the key properties of dimethylaminoazanium azide?
dimethylaminoazanium azide has a molecular weight of 103.13 g/mol, XLogP of -0.43, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylaminoazanium azide is sourced from PubChem (CID 158951786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).