4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carbonitrile

• ChemBase ID: 308891
• Molecular Formular: C7H8N4
• Molecular Mass: 148.16522
• Monoisotopic Mass: 148.07489628
• SMILES: n12nc(cc1CNCC2)C#N
• Canonical SMILES: N#Cc1nn2c(c1)CNCC2
• InChI: InChI=1S/C7H8N4/c8-4-6-3-7-5-9-1-2-11(7)10-6/h3,9H,1-2,5H2
• InChIKey: RGSBNDIISLKZSJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carbonitrile
• IUPAC Traditional name: 4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carbonitrile
• Synonyms: 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carbonitrile

Database IDs

• CAS Number: 1208491-86-4
• MDL Number: MFCD12198502

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.0239594
• LogD (pH = 7.4): -0.39998126
• Log P: -0.050122604
• Molar Refractivity: 51.4675 cm^3
• Polarizability: 15.224629 Å^3
• Polar Surface Area: 53.64 Å^2