bis(methyldiazenyl)azaniumylideneazanide

C2H6N6 — CID 88803587

IUPACbis(methyldiazenyl)azaniumylideneazanide
SMILESC/N=N/[N+](=[N-])/N=N/C
InChIInChI=1S/C2H6N6/c1-4-6-8(3)7-5-2/h1-2H3/b6-4+,7-5+
InChIKeyVIIFWPKRWLGBPT-YDFGWWAZSA-N
MW114.11 g/mol
LogP1.01
Rot. Bonds2

About bis(methyldiazenyl)azaniumylideneazanide

bis(methyldiazenyl)azaniumylideneazanide (PubChem CID 88803587) has the molecular formula C2H6N6 and a molecular weight of 114.11 g/mol. Its IUPAC name is bis(methyldiazenyl)azaniumylideneazanide.

Molecular Properties

Compound Namebis(methyldiazenyl)azaniumylideneazanide
PubChem CID88803587
Molecular FormulaC2H6N6
Molecular Weight114.11 g/mol
Exact Mass114.07
IUPAC Namebis(methyldiazenyl)azaniumylideneazanide
SMILESC/N=N/[N+](=[N-])/N=N/C
InChIInChI=1S/C2H6N6/c1-4-6-8(3)7-5-2/h1-2H3/b6-4+,7-5+
InChIKeyVIIFWPKRWLGBPT-YDFGWWAZSA-N
XLogP1.01
TPSA74.75 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.11
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(methyldiazenyl)azaniumylideneazanide?
The IUPAC name of bis(methyldiazenyl)azaniumylideneazanide (CID 88803587) is bis(methyldiazenyl)azaniumylideneazanide.
What is the SMILES notation for bis(methyldiazenyl)azaniumylideneazanide?
The canonical SMILES for bis(methyldiazenyl)azaniumylideneazanide is C/N=N/[N+](=[N-])/N=N/C.
What is the InChIKey of bis(methyldiazenyl)azaniumylideneazanide?
The InChIKey is VIIFWPKRWLGBPT-YDFGWWAZSA-N. The full InChI is InChI=1S/C2H6N6/c1-4-6-8(3)7-5-2/h1-2H3/b6-4+,7-5+.
What are the key properties of bis(methyldiazenyl)azaniumylideneazanide?
bis(methyldiazenyl)azaniumylideneazanide has a molecular weight of 114.11 g/mol, XLogP of 1.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(methyldiazenyl)azaniumylideneazanide is sourced from PubChem (CID 88803587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).