methyldiazene

• ChemBase ID: 3954
• Molecular Formular: CH4N2
• Molecular Mass: 44.05586
• Monoisotopic Mass: 44.03744814
• SMILES: CN=N
• Canonical SMILES: CN=N
• InChI: InChI=1S/CH4N2/c1-3-2/h2H,1H3
• InChIKey: JYXPWUYLZPYOAH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyldiazene
• IUPAC Traditional name: methyldiazene
• Synonyms: Methylhydrazine

Database IDs

• PubChem SID: 160967389; 46504560
• PubChem CID: 123421

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.028249037
• LogD (pH = 7.4): -0.028232845
• Log P: -0.028232638
• Molar Refractivity: 10.9613 cm^3
• Polarizability: 4.2909126 Å^3
• Polar Surface Area: 36.21 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

ALOGPS 2.1

• Log P: -0.63
• LOG S: -1.05
• Solubility (Water): 3.97e+00 g/l

DETAILS

DrugBank - DB04361

Drug information: experimental