7-hydrazinyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine

• ChemBase ID: 244634
• Molecular Formular: C6H8N6
• Molecular Mass: 164.16792
• Monoisotopic Mass: 164.08104429
• SMILES: n12c(ncn2)nc(cc1NN)C
• Canonical SMILES: NNc1cc(C)nc2n1ncn2
• InChI: InChI=1S/C6H8N6/c1-4-2-5(11-7)12-6(10-4)8-3-9-12/h2-3,11H,7H2,1H3
• InChIKey: AMAXZVMYLDNQTL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-hydrazinyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
• IUPAC Traditional name: 7-hydrazinyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
• Synonyms: 7-hydrazino-5-methyl[1,2,4]triazolo[1,5-a]pyrimidine

Database IDs

• CAS Number: 37140-08-2
• MDL Number: MFCD00227389
• PubChem SID: 164300544
• PubChem CID: 520838

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -0.24859963
• LogD (pH = 7.4): -0.17615014
• Log P: -0.17514361
• Molar Refractivity: 57.1564 cm^3
• Polarizability: 15.890099 Å^3
• Polar Surface Area: 81.13 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.759

Product Information

• Purity: 95%