7-amino-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile

• ChemBase ID: 255712
• Molecular Formular: C8H7N5
• Molecular Mass: 173.17468
• Monoisotopic Mass: 173.07014525
• SMILES: n12c(cc(n2)C)ncc(c1N)C#N
• Canonical SMILES: Cc1cc2n(n1)c(N)c(cn2)C#N
• InChI: InChI=1S/C8H7N5/c1-5-2-7-11-4-6(3-9)8(10)13(7)12-5/h2,4H,10H2,1H3
• InChIKey: ATXOXIDCIBXBCS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-amino-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
• IUPAC Traditional name: 7-amino-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
• Synonyms: 7-amino-2-methylpyrazolo[1,5-a]pyrimidine-6-carbonitrile

Database IDs

• CAS Number: 255389-59-4
• MDL Number: MFCD00206563
• PubChem SID: 164311622
• PubChem CID: 1277038

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.09949544
• LogD (pH = 7.4): -0.09919974
• Log P: -0.099195965
• Molar Refractivity: 58.0404 cm^3
• Polarizability: 17.146568 Å^3
• Polar Surface Area: 80.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.503

Product Information

• Purity: 95%