{3-methyl-5H,6H,7H,8H-imidazo[1,5-a]pyridin-1-yl}methanamine

• ChemBase ID: 243819
• Molecular Formular: C9H15N3
• Molecular Mass: 165.2355
• Monoisotopic Mass: 165.1265975
• SMILES: n1c(c2n(c1C)CCCC2)CN
• Canonical SMILES: NCc1nc(n2c1CCCC2)C
• InChI: InChI=1S/C9H15N3/c1-7-11-8(6-10)9-4-2-3-5-12(7)9/h2-6,10H2,1H3
• InChIKey: LUPCBMFTKUPWAZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {3-methyl-5H,6H,7H,8H-imidazo[1,5-a]pyridin-1-yl}methanamine
• IUPAC Traditional name: {3-methyl-5H,6H,7H,8H-imidazo[1,5-a]pyridin-1-yl}methanamine
• Synonyms: {3-methyl-5H,6H,7H,8H-imidazo[1,5-a]pyridin-1-yl}methanamine

Database IDs

• MDL Number: MFCD22628382
• PubChem SID: 164299729
• PubChem CID: 71695336

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.7808876
• LogD (pH = 7.4): -1.1209567
• Log P: 0.101876415
• Molar Refractivity: 48.8445 cm^3
• Polarizability: 18.74705 Å^3
• Polar Surface Area: 43.84 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.051

Product Information

• Purity: 95%