[1,2,3]triazolo[1,5-c]pyrimidine-5,7-diamine

• ChemBase ID: 107994
• Molecular Formular: C5H6N6
• Molecular Mass: 150.14134
• Monoisotopic Mass: 150.06539422
• SMILES: Nc1cc2cnnn2c(N)n1
• Canonical SMILES: Nc1cc2cnnn2c(n1)N
• InChI: InChI=1S/C5H6N6/c6-4-1-3-2-8-10-11(3)5(7)9-4/h1-2H,6H2,(H2,7,9)
• InChIKey: ZZELEIKHPVZZAZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1,2,3]triazolo[1,5-c]pyrimidine-5,7-diamine
• IUPAC Traditional name: [1,2,3]triazolo[1,5-c]pyrimidine-5,7-diamine
• Synonyms: 5,7-DIAMINO-2,3,4,6-TETRAAZAINDOLIZINE

Database IDs

• PubChem SID: 162106097
• PubChem CID: 25021501

CALCULATED PROPERTIES

• Acid pKa: 19.499014
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -0.4866497
• LogD (pH = 7.4): -0.45560274
• Log P: -0.45519134
• Molar Refractivity: 51.7185 cm^3
• Polarizability: 14.499178 Å^3
• Polar Surface Area: 95.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05205699

MP Biomedicals Rare Chemical collection