1H-1,2,3-triazol-4-ylmethanol

• ChemBase ID: 306687
• Molecular Formular: C3H5N3O
• Molecular Mass: 99.0913
• Monoisotopic Mass: 99.0432618
• SMILES: n1nc(c[nH]1)CO
• Canonical SMILES: OCc1c[nH]nn1
• InChI: InChI=1S/C3H5N3O/c7-2-3-1-4-6-5-3/h1,7H,2H2,(H,4,5,6)
• InChIKey: OADYBXHYXPEGHX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1H-1,2,3-triazol-4-ylmethanol
• IUPAC Traditional name: 1H-1,2,3-triazol-4-ylmethanol
• Synonyms: 1H-1,2,3-triazol-4-ylmethanol

Database IDs

• CAS Number: 84440-19-7
• MDL Number: MFCD06619355

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.7896134
• LogD (pH = 7.4): -0.811631
• Log P: -0.7893239
• Molar Refractivity: 24.3961 cm^3
• Polarizability: 8.808883 Å^3
• Polar Surface Area: 61.8 Å^2