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

• ChemBase ID: 41767
• Molecular Formular: C8H9N5
• Molecular Mass: 175.19056
• Monoisotopic Mass: 175.08579531
• SMILES: n12c(nc(n1)N)nccc2C1CC1
• Canonical SMILES: Nc1nn2c(n1)nccc2C1CC1
• InChI: InChI=1S/C8H9N5/c9-7-11-8-10-4-3-6(5-1-2-5)13(8)12-7/h3-5H,1-2H2,(H2,9,12)
• InChIKey: RQSNDLLGHDLGLT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-cyclopropyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
• IUPAC Traditional name: 7-cyclopropyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
• Synonyms: 7-Cyclopropyl[1,2,4]triazolo[1,5-a]pyrimidin-2-amine; 7-Cyclopropyl[1,2,4]triazolo[1,5-a]pyrimidin-2-amine; 2-Amino-7-cyclopropyl[1,2,4]triazolo[1,5-a]pyrimidine

Database IDs

• CAS Number: 885949-41-7
• MDL Number: MFCD07366548
• PubChem SID: 162046530
• PubChem CID: 2764108

CALCULATED PROPERTIES

• Acid pKa: 14.851606
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.685713
• LogD (pH = 7.4): 0.6857429
• Log P: 0.6857433
• Molar Refractivity: 60.5944 cm^3
• Polarizability: 17.399197 Å^3
• Polar Surface Area: 69.1 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 235 - 237 °C; 235-237°C

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: > 95%; >95%