3-methyl-3H-imidazo[4,5-b]pyridin-6-amine

• ChemBase ID: 44995
• Molecular Formular: C7H8N4
• Molecular Mass: 148.16522
• Monoisotopic Mass: 148.07489628
• SMILES: c1(cnc2c(c1)ncn2C)N
• Canonical SMILES: Nc1cnc2c(c1)ncn2C
• InChI: InChI=1S/C7H8N4/c1-11-4-10-6-2-5(8)3-9-7(6)11/h2-4H,8H2,1H3
• InChIKey: KMNNVCWSIWTUSL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methyl-3H-imidazo[4,5-b]pyridin-6-amine
• IUPAC Traditional name: 3-methylimidazo[4,5-b]pyridin-6-amine
• Synonyms: 3-Methyl-3H-imidazo[4,5-b]pyridin-6-amine; 3-Methyl-3H-imidazo[4,5-b]pyridin-6-amine

Database IDs

• CAS Number: 1186310-95-1
• MDL Number: MFCD12922814
• PubChem SID: 162049758
• PubChem CID: 23298379

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.19645153
• LogD (pH = 7.4): -0.1959625
• Log P: -0.19595626
• Molar Refractivity: 42.3613 cm^3
• Polarizability: 15.983993 Å^3
• Polar Surface Area: 56.73 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Empirical Formula (Hill Notation): C7H8N4

DETAILS

Sigma Aldrich - ADE001231

Other Notes
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