2-propyl-2H-1,2,3-triazol-4-amine

• ChemBase ID: 307275
• Molecular Formular: C5H10N4
• Molecular Mass: 126.1597
• Monoisotopic Mass: 126.09054634
• SMILES: n1n(ncc1N)CCC
• Canonical SMILES: CCCn1ncc(n1)N
• InChI: InChI=1S/C5H10N4/c1-2-3-9-7-4-5(6)8-9/h4H,2-3H2,1H3,(H2,6,8)
• InChIKey: OMORIMHDASOVQA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 915922-91-7
• MDL Number: MFCD08059915

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.3702525
• LogD (pH = 7.4): 0.37026748
• Log P: 0.3702677
• Molar Refractivity: 48.1765 cm^3
• Polarizability: 12.844977 Å^3
• Polar Surface Area: 56.73 Å^2