7-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-amine

• ChemBase ID: 309526
• Molecular Formular: C6H7N5
• Molecular Mass: 149.15328
• Monoisotopic Mass: 149.07014525
• SMILES: n12c(nnc1N)nc(cc2)C
• Canonical SMILES: Cc1ccn2c(n1)nnc2N
• InChI: InChI=1S/C6H7N5/c1-4-2-3-11-5(7)9-10-6(11)8-4/h2-3H,1H3,(H2,7,9)
• InChIKey: FUICAGGXPFXELW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-amine
• IUPAC Traditional name: 7-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-amine
• Synonyms: 7-methyl[1,2,4]triazolo[4,3-a]pyrimidin-3-amine

Database IDs

• MDL Number: MFCD18917023

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.1667608
• LogD (pH = 7.4): -1.1664662
• Log P: -1.1664625
• Molar Refractivity: 43.771 cm^3
• Polarizability: 14.466269 Å^3
• Polar Surface Area: 69.1 Å^2