7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine

• ChemBase ID: 312409
• Molecular Formular: C6H7N5
• Molecular Mass: 149.15328
• Monoisotopic Mass: 149.07014525
• SMILES: c12nc(nn1c(ccn2)C)N
• Canonical SMILES: Nc1nn2c(n1)nccc2C
• InChI: InChI=1S/C6H7N5/c1-4-2-3-8-6-9-5(7)10-11(4)6/h2-3H,1H3,(H2,7,10)
• InChIKey: JQJRRHYGXNXGTB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
• IUPAC Traditional name: 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
• Synonyms: 7-methyl[1,2,4]triazolo[1,5-a]pyrimidin-2-amine

Database IDs

• MDL Number: MFCD19982708

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.26194218
• LogD (pH = 7.4): 0.26197356
• Log P: 0.26197398
• Molar Refractivity: 53.401 cm^3
• Polarizability: 14.455166 Å^3
• Polar Surface Area: 69.1 Å^2