2-methyl-5-(2-methyl-2H-1,2,3,4-tetrazol-5-yl)aniline

• ChemBase ID: 308691
• Molecular Formular: C9H11N5
• Molecular Mass: 189.21714
• Monoisotopic Mass: 189.10144538
• SMILES: c1(nn(nn1)C)c1cc(c(cc1)C)N
• Canonical SMILES: Cn1nnc(n1)c1ccc(c(c1)N)C
• InChI: InChI=1S/C9H11N5/c1-6-3-4-7(5-8(6)10)9-11-13-14(2)12-9/h3-5H,10H2,1-2H3
• InChIKey: PIUOBCXSDNDVRT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-5-(2-methyl-2H-1,2,3,4-tetrazol-5-yl)aniline
• IUPAC Traditional name: 2-methyl-5-(2-methyl-1,2,3,4-tetrazol-5-yl)aniline
• Synonyms: 2-methyl-5-(2-methyl-2H-tetrazol-5-yl)aniline

Database IDs

• CAS Number: 948007-73-6
• MDL Number: MFCD10037610

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.9055806
• LogD (pH = 7.4): 1.9072753
• Log P: 1.907297
• Molar Refractivity: 78.3778 cm^3
• Polarizability: 20.321968 Å^3
• Polar Surface Area: 69.62 Å^2