[1,2,4]triazolo[4,3-a]pyridin-3-amine

• ChemBase ID: 53217
• Molecular Formular: C6H6N4
• Molecular Mass: 134.13864
• Monoisotopic Mass: 134.05924621
• SMILES: c1cn2c(cc1)nnc2N
• Canonical SMILES: Nc1nnc2n1cccc2
• InChI: InChI=1S/C6H6N4/c7-6-9-8-5-3-1-2-4-10(5)6/h1-4H,(H2,7,9)
• InChIKey: NCZQAIFOXJOCFI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1,2,4]triazolo[4,3-a]pyridin-3-amine
• IUPAC Traditional name: [1,2,4]triazolo[4,3-a]pyridin-3-amine
• Synonyms: [1,2,4]Triazolo[4,3-a]pyridin-3-amine; [1,2,4]Triazolo[4,3-a]pyridin-3-ylamine; 3-Amino-1,2,4-triazolo[4,3-a]pyridine

Database IDs

• CAS Number: 767-62-4
• MDL Number: MFCD03196503
• PubChem SID: 162057980
• PubChem CID: 253286

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.34777382
• LogD (pH = 7.4): -0.3456059
• Log P: -0.3455782
• Molar Refractivity: 40.3263 cm^3
• Polarizability: 13.548648 Å^3
• Polar Surface Area: 56.21 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 229 - 231°C
• Hydrophobicity(logP): -0.023

Safety Information

• Storage Warning: IRRITANT
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37-60
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501

Product Information

• Purity: 95%; 97%