1-methyl-1H-1,2,3-benzotriazol-4-amine

• ChemBase ID: 309586
• Molecular Formular: C7H8N4
• Molecular Mass: 148.16522
• Monoisotopic Mass: 148.07489628
• SMILES: n1nn(c2c1c(N)ccc2)C
• Canonical SMILES: Nc1cccc2c1nnn2C
• InChI: InChI=1S/C7H8N4/c1-11-6-4-2-3-5(8)7(6)9-10-11/h2-4H,8H2,1H3
• InChIKey: YQOPKUFXAXHGRJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-1H-1,2,3-benzotriazol-4-amine
• IUPAC Traditional name: 1-methyl-1,2,3-benzotriazol-4-amine
• Synonyms: 1-methyl-1H-1,2,3-benzotriazol-4-amine

Database IDs

• CAS Number: 27799-82-2
• MDL Number: MFCD18262377

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.5959759
• LogD (pH = 7.4): 0.59603155
• Log P: 0.59603226
• Molar Refractivity: 53.9745 cm^3
• Polarizability: 16.665466 Å^3
• Polar Surface Area: 56.73 Å^2