2-methyl-5H,6H,7H,8H-[1,2,4]triazolo[1,5-a]pyridin-8-amine

• ChemBase ID: 283978
• Molecular Formular: C7H12N4
• Molecular Mass: 152.19698
• Monoisotopic Mass: 152.1061964
• SMILES: c12nc(nn1CCCC2N)C
• Canonical SMILES: Cc1nn2c(n1)C(N)CCC2
• InChI: InChI=1S/C7H12N4/c1-5-9-7-6(8)3-2-4-11(7)10-5/h6H,2-4,8H2,1H3
• InChIKey: GREJTVKJTDGUQI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-5H,6H,7H,8H-[1,2,4]triazolo[1,5-a]pyridin-8-amine
• IUPAC Traditional name: 2-methyl-5H,6H,7H,8H-[1,2,4]triazolo[1,5-a]pyridin-8-amine
• Synonyms: 2-methyl-5H,6H,7H,8H-[1,2,4]triazolo[1,5-a]pyridin-8-amine

Database IDs

• MDL Number: MFCD22093251
• PubChem SID: 180669509
• PubChem CID: 71695324

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.5925426
• LogD (pH = 7.4): -0.87651235
• Log P: 0.03345139
• Molar Refractivity: 53.8466 cm^3
• Polarizability: 16.105253 Å^3
• Polar Surface Area: 56.73 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.048

Product Information

• Purity: 95%