3-aminopyrazine-2-carbohydrazide

• ChemBase ID: 101587
• Molecular Formular: C5H7N5O
• Molecular Mass: 153.14198
• Monoisotopic Mass: 153.06505987
• SMILES: c1(C(=O)NN)c(nccn1)N
• Canonical SMILES: Nc1nccnc1C(=O)NN
• InChI: InChI=1S/C5H7N5O/c6-4-3(5(11)10-7)8-1-2-9-4/h1-2H,7H2,(H2,6,9)(H,10,11)
• InChIKey: NSBRFKAXSNUXQO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-aminopyrazine-2-carbohydrazide
• IUPAC Traditional name: 3-aminopyrazine-2-carbohydrazide
• Synonyms: 3-aminopyrazine-2-carbohydrazide

Database IDs

• CAS Number: 6761-52-0
• MDL Number: MFCD00115105
• PubChem SID: 162088841
• PubChem CID: 1240109

CALCULATED PROPERTIES

• Acid pKa: 13.501688
• H Acceptors: 5
• H Donor: 3
• LogD (pH = 5.5): -1.1071105
• LogD (pH = 7.4): -1.1065599
• Log P: -1.1065525
• Molar Refractivity: 39.9486 cm^3
• Polarizability: 14.04256 Å^3
• Polar Surface Area: 106.92 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%