4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-3-amine

• ChemBase ID: 307069
• Molecular Formular: C6H10N4
• Molecular Mass: 138.1704
• Monoisotopic Mass: 138.09054634
• SMILES: c12c(cnn1CCCN2)N
• Canonical SMILES: Nc1cnn2c1NCCC2
• InChI: InChI=1S/C6H10N4/c7-5-4-9-10-3-1-2-8-6(5)10/h4,8H,1-3,7H2
• InChIKey: KJSUUQOHRQRALU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-3-amine
• IUPAC Traditional name: 4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-3-amine
• Synonyms: 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-amine

Database IDs

• CAS Number: 148777-81-5
• MDL Number: MFCD09055287

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.1113198
• LogD (pH = 7.4): -0.9792898
• Log P: -0.97731614
• Molar Refractivity: 52.0053 cm^3
• Polarizability: 14.142668 Å^3
• Polar Surface Area: 55.87 Å^2