7-amino-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid

• ChemBase ID: 309360
• Molecular Formular: C7H7N5O2
• Molecular Mass: 193.16278
• Monoisotopic Mass: 193.05997449
• SMILES: n12c(nc(n2)C)ncc(c1N)C(=O)O
• Canonical SMILES: Cc1nn2c(n1)ncc(c2N)C(=O)O
• InChI: InChI=1S/C7H7N5O2/c1-3-10-7-9-2-4(6(13)14)5(8)12(7)11-3/h2H,8H2,1H3,(H,13,14)
• InChIKey: VQVVMPKPOVCDJL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-amino-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid
• IUPAC Traditional name: 7-amino-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid
• Synonyms: 7-amino-2-methyl[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid

Database IDs

• CAS Number: 1211486-58-6
• MDL Number: MFCD15204063

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): -0.9048878
• LogD (pH = 7.4): -2.6591907
• Log P: 0.31839994
• Molar Refractivity: 59.4392 cm^3
• Polarizability: 16.930218 Å^3
• Polar Surface Area: 106.4 Å^2