2-methyl-2H-1,2,3-benzotriazol-5-amine

• ChemBase ID: 309638
• Molecular Formular: C7H8N4
• Molecular Mass: 148.16522
• Monoisotopic Mass: 148.07489628
• SMILES: c12nn(nc1ccc(c2)N)C
• Canonical SMILES: Nc1ccc2c(c1)nn(n2)C
• InChI: InChI=1S/C7H8N4/c1-11-9-6-3-2-5(8)4-7(6)10-11/h2-4H,8H2,1H3
• InChIKey: MBOVZBKVDAMSEZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-2H-1,2,3-benzotriazol-5-amine
• IUPAC Traditional name: 2-methyl-1,2,3-benzotriazol-5-amine
• Synonyms: 2-methyl-2H-1,2,3-benzotriazol-5-amine

Database IDs

• MDL Number: MFCD19203480

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.6570507
• LogD (pH = 7.4): 0.6576496
• Log P: 0.6576572
• Molar Refractivity: 54.2966 cm^3
• Polarizability: 16.659256 Å^3
• Polar Surface Area: 56.73 Å^2