trimethyl-(N'-methylcarbamimidoyl)azanium azide

C5H14N6 — CID 21468918

IUPACtrimethyl-(N'-methylcarbamimidoyl)azanium azide
SMILESC/N=C(\N)[N+](C)(C)C.[N-]=[N+]=[N-]
InChIInChI=1S/C5H14N3.N3/c1-7-5(6)8(2,3)4;1-3-2/h1-4H3,(H2,6,7);/q+1;-1
InChIKeyINRLXMZMHOAJFK-UHFFFAOYSA-N
MW158.21 g/mol
LogP0.50
Rot. Bonds

About trimethyl-(N'-methylcarbamimidoyl)azanium azide

trimethyl-(N'-methylcarbamimidoyl)azanium azide (PubChem CID 21468918) has the molecular formula C5H14N6 and a molecular weight of 158.21 g/mol. Its IUPAC name is trimethyl-(N'-methylcarbamimidoyl)azanium azide.

Molecular Properties

Compound Nametrimethyl-(N'-methylcarbamimidoyl)azanium azide
PubChem CID21468918
Molecular FormulaC5H14N6
Molecular Weight158.21 g/mol
Exact Mass158.13
IUPAC Nametrimethyl-(N'-methylcarbamimidoyl)azanium azide
SMILESC/N=C(\N)[N+](C)(C)C.[N-]=[N+]=[N-]
InChIInChI=1S/C5H14N3.N3/c1-7-5(6)8(2,3)4;1-3-2/h1-4H3,(H2,6,7);/q+1;-1
InChIKeyINRLXMZMHOAJFK-UHFFFAOYSA-N
XLogP0.50
TPSA97.08 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.21
LogP ≤ 50.50
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': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trimethyl-(N'-methylcarbamimidoyl)azanium azide?
The IUPAC name of trimethyl-(N'-methylcarbamimidoyl)azanium azide (CID 21468918) is trimethyl-(N'-methylcarbamimidoyl)azanium azide.
What is the SMILES notation for trimethyl-(N'-methylcarbamimidoyl)azanium azide?
The canonical SMILES for trimethyl-(N'-methylcarbamimidoyl)azanium azide is C/N=C(\N)[N+](C)(C)C.[N-]=[N+]=[N-].
What is the InChIKey of trimethyl-(N'-methylcarbamimidoyl)azanium azide?
The InChIKey is INRLXMZMHOAJFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N3.N3/c1-7-5(6)8(2,3)4;1-3-2/h1-4H3,(H2,6,7);/q+1;-1.
What are the key properties of trimethyl-(N'-methylcarbamimidoyl)azanium azide?
trimethyl-(N'-methylcarbamimidoyl)azanium azide has a molecular weight of 158.21 g/mol, XLogP of 0.50, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-(N'-methylcarbamimidoyl)azanium azide is sourced from PubChem (CID 21468918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).