1-{[1,2,3,4]tetrazolo[1,5-a]pyrazin-5-yl}piperazine

• ChemBase ID: 240489
• Molecular Formular: C8H11N7
• Molecular Mass: 205.21984
• Monoisotopic Mass: 205.10759339
• SMILES: n12c(N3CCNCC3)cncc1nnn2
• Canonical SMILES: N1CCN(CC1)c1cncc2n1nnn2
• InChI: InChI=1S/C8H11N7/c1-3-14(4-2-9-1)8-6-10-5-7-11-12-13-15(7)8/h5-6,9H,1-4H2
• InChIKey: OUOIWNAEHDEDOT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{[1,2,3,4]tetrazolo[1,5-a]pyrazin-5-yl}piperazine
• IUPAC Traditional name: 1-{[1,2,3,4]tetrazolo[1,5-a]pyrazin-5-yl}piperazine
• Synonyms: 1-{[1,2,3,4]tetrazolo[1,5-a]pyrazin-5-yl}piperazine

Database IDs

• MDL Number: MFCD16112961
• PubChem SID: 164296399
• PubChem CID: 61805517

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): -3.717448
• LogD (pH = 7.4): -2.1537557
• Log P: -0.75333333
• Molar Refractivity: 66.4312 cm^3
• Polarizability: 20.012585 Å^3
• Polar Surface Area: 71.24 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.59

Product Information

• Purity: 95%