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

• ChemBase ID: 28103
• Molecular Formular: C6H7N5
• Molecular Mass: 149.15328
• Monoisotopic Mass: 149.07014525
• SMILES: n12c(ncn2)nc(cc1N)C
• Canonical SMILES: Cc1cc(N)n2c(n1)ncn2
• InChI: InChI=1S/C6H7N5/c1-4-2-5(7)11-6(10-4)8-3-9-11/h2-3H,7H2,1H3
• InChIKey: WCHZTJMYPRSTPF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 33376-96-4
• MDL Number: MFCD00982049
• PubChem SID: 160991410
• PubChem CID: 169505

CALCULATED PROPERTIES

• Molar Refractivity: 52.1501 cm^3
• Polarizability: 14.45807 Å^3
• Polar Surface Area: 69.1 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.3957351
• LogD (pH = 7.4): -0.39571247
• Log P: -0.3957122

PROPERTIES

Physical Property

• Partition Coefficient: -1.193

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%