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

• ChemBase ID: 268562
• Molecular Formular: C7H12N4
• Molecular Mass: 152.19698
• Monoisotopic Mass: 152.1061964
• SMILES: n12nc(nc1CCC(C2)N)C
• Canonical SMILES: NC1CCc2n(C1)nc(n2)C
• InChI: InChI=1S/C7H12N4/c1-5-9-7-3-2-6(8)4-11(7)10-5/h6H,2-4,8H2,1H3
• InChIKey: FYKDYYGNYLGWCA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD16817413
• PubChem SID: 164324472
• PubChem CID: 50987770

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.3495178
• LogD (pH = 7.4): -2.5799518
• Log P: -0.16406913
• Molar Refractivity: 53.7159 cm^3
• Polarizability: 16.029911 Å^3
• Polar Surface Area: 56.73 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 60 - 62°C
• Hydrophobicity(logP): -0.875

Product Information

• Purity: 95%