1-ethyl-1H-1,2,4-triazol-5-amine hydrochloride

• ChemBase ID: 144146
• Molecular Formular: C4H9ClN4
• Molecular Mass: 148.59406
• Monoisotopic Mass: 148.05157399
• SMILES: CCn1c(ncn1)N.Cl
• Canonical SMILES: CCn1ncnc1N.Cl
• InChI: InChI=1S/C4H8N4.ClH/c1-2-8-4(5)6-3-7-8;/h3H,2H2,1H3,(H2,5,6,7);1H
• InChIKey: IFNIXWDZBBCGLH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethyl-1H-1,2,4-triazol-5-amine hydrochloride
• IUPAC Traditional name: 2-ethyl-1,2,4-triazol-3-amine hydrochloride
• Synonyms: 1-Ethyl-1H-1,2,4-triazol-5-amine hydrochloride

Database IDs

• MDL Number: MFCD13186134
• PubChem SID: 162238363
• PubChem CID: 53398856

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.12232295
• LogD (pH = 7.4): -0.07393703
• Log P: -0.073281765
• Molar Refractivity: 43.0578 cm^3
• Polarizability: 11.02678 Å^3
• Polar Surface Area: 56.73 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Empirical Formula (Hill Notation): C4H9ClN4

DETAILS

Sigma Aldrich - CBR00782

Other Notes
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Legal Information
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